bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol

C152H231N11O18 — CID 159273835

IUPACbis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol
SMILESCC(C)C1=CCC(=O)C=C1.CC(C)c1ccc(=O)n(CCN2CCCCC2)c1.CC(C)c1ccc(OCC#N)nc1.CC(C)c1ccc(OCCC2CCOCC2)cc1.CC(C)c1ccc(OCCCO)nc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCN(C)CC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(OCCO)cc1.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cn1
InChIInChI=1S/C16H26N2O.C16H24O2.C15H24N2O.C15H23NO2.2C13H21NO.C12H18O2.2C11H17NO2.C11H16O2.C10H12N2O.C9H12O/c1-14(2)15-4-6-16(7-5-15)19-13-12-18-10-8-17(3)9-11-18;1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14;1-13(2)14-6-7-15(18)17(12-14)11-10-16-8-4-3-5-9-16;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;2*1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)10-4-5-11(12-8-10)14-7-6-13-3;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-8(2)9-3-4-10(12-7-9)13-6-5-11;1-7(2)8-3-5-9(10)6-4-8/h4-7,14H,8-13H2,1-3H3;3-6,13-14H,7-12H2,1-2H3;6-7,12-13H,3-5,8-11H2,1-2H3;3-6,13H,7-12H2,1-2H3;2*5-8,11H,9-10H2,1-4H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,8-9,13H,3,6-7H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyKYAWOOXOVPYLLA-UHFFFAOYSA-N
MW2500.58 g/mol
LogP30.34
Rot. Bonds52

About bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol

bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol (PubChem CID 159273835) has the molecular formula C152H231N11O18 and a molecular weight of 2500.58 g/mol. Its IUPAC name is bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol.

Molecular Properties

Compound Namebis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol
PubChem CID159273835
Molecular FormulaC152H231N11O18
Molecular Weight2500.58 g/mol
Exact Mass2498.75
IUPAC Namebis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol
SMILESCC(C)C1=CCC(=O)C=C1.CC(C)c1ccc(=O)n(CCN2CCCCC2)c1.CC(C)c1ccc(OCC#N)nc1.CC(C)c1ccc(OCCC2CCOCC2)cc1.CC(C)c1ccc(OCCCO)nc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCN(C)CC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(OCCO)cc1.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cn1
InChIInChI=1S/C16H26N2O.C16H24O2.C15H24N2O.C15H23NO2.2C13H21NO.C12H18O2.2C11H17NO2.C11H16O2.C10H12N2O.C9H12O/c1-14(2)15-4-6-16(7-5-15)19-13-12-18-10-8-17(3)9-11-18;1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14;1-13(2)14-6-7-15(18)17(12-14)11-10-16-8-4-3-5-9-16;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;2*1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)10-4-5-11(12-8-10)14-7-6-13-3;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-8(2)9-3-4-10(12-7-9)13-6-5-11;1-7(2)8-3-5-9(10)6-4-8/h4-7,14H,8-13H2,1-3H3;3-6,13-14H,7-12H2,1-2H3;6-7,12-13H,3-5,8-11H2,1-2H3;3-6,13H,7-12H2,1-2H3;2*5-8,11H,9-10H2,1-4H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,8-9,13H,3,6-7H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyKYAWOOXOVPYLLA-UHFFFAOYSA-N
XLogP30.34
TPSA290.65 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds52
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002500.58
LogP ≤ 530.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol?
The IUPAC name of bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol (CID 159273835) is bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol.
What is the SMILES notation for bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol?
The canonical SMILES for bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol is CC(C)C1=CCC(=O)C=C1.CC(C)c1ccc(=O)n(CCN2CCCCC2)c1.CC(C)c1ccc(OCC#N)nc1.CC(C)c1ccc(OCCC2CCOCC2)cc1.CC(C)c1ccc(OCCCO)nc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCN(C)CC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(OCCO)cc1.COCCOc1ccc(C(C)C)cc1.COCCOc1ccc(C(C)C)cn1.
What is the InChIKey of bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol?
The InChIKey is KYAWOOXOVPYLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C16H24O2.C15H24N2O.C15H23NO2.2C13H21NO.C12H18O2.2C11H17NO2.C11H16O2.C10H12N2O.C9H12O/c1-14(2)15-4-6-16(7-5-15)19-13-12-18-10-8-17(3)9-11-18;1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14;1-13(2)14-6-7-15(18)17(12-14)11-10-16-8-4-3-5-9-16;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;2*1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-10(2)11-4-6-12(7-5-11)14-9-8-13-3;1-9(2)10-4-5-11(12-8-10)14-7-6-13-3;1-9(2)10-4-5-11(12-8-10)14-7-3-6-13;1-9(2)10-3-5-11(6-4-10)13-8-7-12;1-8(2)9-3-4-10(12-7-9)13-6-5-11;1-7(2)8-3-5-9(10)6-4-8/h4-7,14H,8-13H2,1-3H3;3-6,13-14H,7-12H2,1-2H3;6-7,12-13H,3-5,8-11H2,1-2H3;3-6,13H,7-12H2,1-2H3;2*5-8,11H,9-10H2,1-4H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,8-9,13H,3,6-7H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol?
bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol has a molecular weight of 2500.58 g/mol, XLogP of 30.34, 52 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine);1-(2-methoxyethoxy)-4-propan-2-ylbenzene;2-(2-methoxyethoxy)-5-propan-2-ylpyridine;1-methyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazine;1-(2-piperidin-1-ylethyl)-5-propan-2-ylpyridin-2-one;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-(4-propan-2-ylphenoxy)ethanol;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;4-[2-(4-propan-2-ylphenoxy)ethyl]oxane;2-[(5-propan-2-yl-2-pyridinyl)oxy]acetonitrile;3-[(5-propan-2-yl-2-pyridinyl)oxy]propan-1-ol is sourced from PubChem (CID 159273835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).