2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide

C22H25N3O3 — CID 51312955

IUPAC2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-7-9-16(10-8-14)20(23-15(2)26)13-21(27)25-19-6-4-3-5-18(19)22(28)24-17-11-12-17/h3-10,17,20H,11-13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYGGGQDSNZYKJTE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.09
Rot. Bonds7

About 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide

2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide (PubChem CID 51312955) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
PubChem CID51312955
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-14-7-9-16(10-8-14)20(23-15(2)26)13-21(27)25-19-6-4-3-5-18(19)22(28)24-17-11-12-17/h3-10,17,20H,11-13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYGGGQDSNZYKJTE-UHFFFAOYSA-N
XLogP3.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 55786201
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56573015
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823

Frequently Asked Questions

What is the IUPAC name of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide (CID 51312955) is 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide is CC(=O)NC(CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C)cc1.
What is the InChIKey of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is YGGGQDSNZYKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-9-16(10-8-14)20(23-15(2)26)13-21(27)25-19-6-4-3-5-18(19)22(28)24-17-11-12-17/h3-10,17,20H,11-13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide?
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 51312955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).