(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide

C18H19N3O3 — CID 95325032

IUPAC(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
SMILESCC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c1-12(17(23)20-15-8-4-3-5-9-15)19-18(24)21-16-10-6-7-14(11-16)13(2)22/h3-12H,1-2H3,(H,20,23)(H2,19,21,24)/t12-/m0/s1
InChIKeyVBIIOTNJXCCTIH-LBPRGKRZSA-N
MW325.37 g/mol
LogP3.04
Rot. Bonds5

About (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide

(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide (PubChem CID 95325032) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
PubChem CID95325032
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
SMILESCC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c1-12(17(23)20-15-8-4-3-5-9-15)19-18(24)21-16-10-6-7-14(11-16)13(2)22/h3-12H,1-2H3,(H,20,23)(H2,19,21,24)/t12-/m0/s1
InChIKeyVBIIOTNJXCCTIH-LBPRGKRZSA-N
XLogP3.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94819026
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
2-[(3-acetylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61339526
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide (CID 95325032) is (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide is CC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide?
The InChIKey is VBIIOTNJXCCTIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(17(23)20-15-8-4-3-5-9-15)19-18(24)21-16-10-6-7-14(11-16)13(2)22/h3-12H,1-2H3,(H,20,23)(H2,19,21,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide?
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide is sourced from PubChem (CID 95325032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).