3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide

C23H27N3O3 — CID 55786201

IUPAC3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O3/c1-14-4-7-17(8-5-14)21(24-16(3)27)13-22(28)26-20-12-18(9-6-15(20)2)23(29)25-19-10-11-19/h4-9,12,19,21H,10-11,13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyBHQAMLRGVGWWGZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.40
Rot. Bonds7

About 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 55786201) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID55786201
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O3/c1-14-4-7-17(8-5-14)21(24-16(3)27)13-22(28)26-20-12-18(9-6-15(20)2)23(29)25-19-10-11-19/h4-9,12,19,21H,10-11,13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyBHQAMLRGVGWWGZ-UHFFFAOYSA-N
XLogP3.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
methyl 4-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methylbenzoate
CID 55531525
methyl 3-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-4-methylbenzoate
CID 8920175
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196515
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071

Frequently Asked Questions

What is the IUPAC name of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 55786201) is 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide is CC(=O)NC(CC(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is BHQAMLRGVGWWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-4-7-17(8-5-14)21(24-16(3)27)13-22(28)26-20-12-18(9-6-15(20)2)23(29)25-19-10-11-19/h4-9,12,19,21H,10-11,13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 55786201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).