N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol

C37H75NO10 — CID 178008752

IUPACN,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol
SMILESCC.CC.CCCC(=O)CCOCC(COCCC(C)=O)(COCCC(=O)CC)N(C)C(=O)CC(C)(C)OCC(C)(C)OC(C)C.CO
InChIInChI=1S/C32H59NO9.2C2H6.CH4O/c1-11-13-28(36)16-19-40-24-32(22-38-17-14-26(5)34,23-39-18-15-27(35)12-2)33(10)29(37)20-30(6,7)41-21-31(8,9)42-25(3)4;3*1-2/h25H,11-24H2,1-10H3;2*1-2H3;2H,1H3
InChIKeyQCAGKABPORLDHV-UHFFFAOYSA-N
MW694.00 g/mol
LogP6.39
Rot. Bonds26

About N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol

N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol (PubChem CID 178008752) has the molecular formula C37H75NO10 and a molecular weight of 694.00 g/mol. Its IUPAC name is N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol.

Molecular Properties

Compound NameN,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol
PubChem CID178008752
Molecular FormulaC37H75NO10
Molecular Weight694.00 g/mol
Exact Mass693.54
IUPAC NameN,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol
SMILESCC.CC.CCCC(=O)CCOCC(COCCC(C)=O)(COCCC(=O)CC)N(C)C(=O)CC(C)(C)OCC(C)(C)OC(C)C.CO
InChIInChI=1S/C32H59NO9.2C2H6.CH4O/c1-11-13-28(36)16-19-40-24-32(22-38-17-14-26(5)34,23-39-18-15-27(35)12-2)33(10)29(37)20-30(6,7)41-21-31(8,9)42-25(3)4;3*1-2/h25H,11-24H2,1-10H3;2*1-2H3;2H,1H3
InChIKeyQCAGKABPORLDHV-UHFFFAOYSA-N
XLogP6.39
TPSA137.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.00
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol with MolForge

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

Launch Full Analysis

Related Compounds

N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-3-methyl-3-(2-methyl-2-propan-2-yloxypropoxy)butanamide;methanol
CID 171557290
N-[1-(4-methyl-3-oxopentoxy)-2-(3-oxobutoxymethyl)-3-(3-oxopentoxy)propan-2-yl]propanamide
CID 178008588
1-hydroxy-5-(3-oxobutoxy)pentan-3-one
CID 90975845
N-[4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylbutan-2-yl]-N-methylbutanamide
CID 166554576
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-N-methyl-2-propan-2-ylsulfanylacetamide
CID 167408524
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
ethane;3-(2-ethoxy-2-methylpropoxy)-N-[1-(5-methyl-3-oxohexoxy)-2-[(4-methyl-3-oxopentoxy)methyl]-3-(3-oxobutoxy)propan-2-yl]butanamide;methanol
CID 178007529
ethane;4-methyl-1-[2-(methylamino)-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]pentan-3-one
CID 177178068
1-hexoxypentan-3-one
CID 88538290
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
N,N-ditert-butyl-5-oxo-7-propoxyheptanamide
CID 161402532
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol?
The IUPAC name of N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol (CID 178008752) is N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol.
What is the SMILES notation for N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol?
The canonical SMILES for N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol is CC.CC.CCCC(=O)CCOCC(COCCC(C)=O)(COCCC(=O)CC)N(C)C(=O)CC(C)(C)OCC(C)(C)OC(C)C.CO.
What is the InChIKey of N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol?
The InChIKey is QCAGKABPORLDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59NO9.2C2H6.CH4O/c1-11-13-28(36)16-19-40-24-32(22-38-17-14-26(5)34,23-39-18-15-27(35)12-2)33(10)29(37)20-30(6,7)41-21-31(8,9)42-25(3)4;3*1-2/h25H,11-24H2,1-10H3;2*1-2H3;2H,1H3.
What are the key properties of N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol?
N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol has a molecular weight of 694.00 g/mol, XLogP of 6.39, 26 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-(2-methyl-2-propan-2-yloxypropoxy)-N-[1-(3-oxobutoxy)-2-(3-oxohexoxymethyl)-3-(3-oxopentoxy)propan-2-yl]butanamide;ethane;methanol is sourced from PubChem (CID 178008752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).