3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide

C21H26N2O3 — CID 86906508

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccccc2C)NC(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-4-5-7-17(15)12-13-22-21(25)14-20(23-16(2)24)18-8-10-19(26-3)11-9-18/h4-11,20H,12-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyITJJHWOSZKIULY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.93
Rot. Bonds8

About 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 86906508) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID86906508
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccccc2C)NC(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-15-6-4-5-7-17(15)12-13-22-21(25)14-20(23-16(2)24)18-8-10-19(26-3)11-9-18/h4-11,20H,12-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyITJJHWOSZKIULY-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 29491645
3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 42925936
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide (CID 86906508) is 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide is COc1ccc(C(CC(=O)NCCc2ccccc2C)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is ITJJHWOSZKIULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-4-5-7-17(15)12-13-22-21(25)14-20(23-16(2)24)18-8-10-19(26-3)11-9-18/h4-11,20H,12-14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 86906508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).