N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide

C26H36N2O3 — CID 45155087

IUPACN-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(c2ccc(C(C)C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H36N2O3/c1-19(2)21-5-7-23(8-6-21)25(28-13-15-30-16-14-28)17-27-26(29)18-31-24-11-9-22(10-12-24)20(3)4/h5-12,19-20,25H,13-18H2,1-4H3,(H,27,29)
InChIKeyQHFPBPOKUGRHPK-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.50
Rot. Bonds9

About N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 45155087) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID45155087
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC(c2ccc(C(C)C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H36N2O3/c1-19(2)21-5-7-23(8-6-21)25(28-13-15-30-16-14-28)17-27-26(29)18-31-24-11-9-22(10-12-24)20(3)4/h5-12,19-20,25H,13-18H2,1-4H3,(H,27,29)
InChIKeyQHFPBPOKUGRHPK-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-phenoxyacetamide
CID 35578113
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 7496663
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 46578551
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 52984366

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 45155087) is N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC(c2ccc(C(C)C)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QHFPBPOKUGRHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-19(2)21-5-7-23(8-6-21)25(28-13-15-30-16-14-28)17-27-26(29)18-31-24-11-9-22(10-12-24)20(3)4/h5-12,19-20,25H,13-18H2,1-4H3,(H,27,29).
What are the key properties of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 45155087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).