3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide

C21H26N2O3 — CID 17436814

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2C(C)C)NC(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-7-5-6-8-19(18)23-21(25)13-20(22-15(3)24)16-9-11-17(26-4)12-10-16/h5-12,14,20H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHLNWOOUZBLDERF-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.02
Rot. Bonds7

About 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide

3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 17436814) 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-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID17436814
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2C(C)C)NC(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-7-5-6-8-19(18)23-21(25)13-20(22-15(3)24)16-9-11-17(26-4)12-10-16/h5-12,14,20H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHLNWOOUZBLDERF-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
(3S)-3-acetamido-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 29418139

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide (CID 17436814) is 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide is COc1ccc(C(CC(=O)Nc2ccccc2C(C)C)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is HLNWOOUZBLDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)18-7-5-6-8-19(18)23-21(25)13-20(22-15(3)24)16-9-11-17(26-4)12-10-16/h5-12,14,20H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.02, 7 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-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 17436814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).