3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide

C24H30N2O3 — CID 55810237

IUPAC3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1OC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H30N2O3/c1-17-11-13-19(14-12-17)22(26-18(2)27)15-24(28)25-16-20-7-3-6-10-23(20)29-21-8-4-5-9-21/h3,6-7,10-14,21-22H,4-5,8-9,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOMWYMFWFIPKLIE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.20
Rot. Bonds8

About 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 55810237) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID55810237
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1OC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H30N2O3/c1-17-11-13-19(14-12-17)22(26-18(2)27)15-24(28)25-16-20-7-3-6-10-23(20)29-21-8-4-5-9-21/h3,6-7,10-14,21-22H,4-5,8-9,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOMWYMFWFIPKLIE-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide
CID 86981473
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 24611704
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
CID 75378567
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119796181
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide (CID 55810237) is 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NCc1ccccc1OC1CCCC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is OMWYMFWFIPKLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-11-13-19(14-12-17)22(26-18(2)27)15-24(28)25-16-20-7-3-6-10-23(20)29-21-8-4-5-9-21/h3,6-7,10-14,21-22H,4-5,8-9,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55810237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).