2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide

C14H19N3O3 — CID 103951096

IUPAC2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)NC(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-8(2)12(13(15)19)17-14(20)16-11-6-4-10(5-7-11)9(3)18/h4-8,12H,1-3H3,(H2,15,19)(H2,16,17,20)
InChIKeyJXGXIHGUPFCUQF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds5

About 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide

2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide (PubChem CID 103951096) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
PubChem CID103951096
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
SMILESCC(=O)c1ccc(NC(=O)NC(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-8(2)12(13(15)19)17-14(20)16-11-6-4-10(5-7-11)9(3)18/h4-8,12H,1-3H3,(H2,15,19)(H2,16,17,20)
InChIKeyJXGXIHGUPFCUQF-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
(2S,3R)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 943801
[2-(4-acetylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617308
[2-(4-acetylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617307
1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
CID 61466395
4-[[(1S)-1-carboxylato-2-methylpropyl]carbamoylamino]benzoate
CID 7088481
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
1-(4-acetylphenyl)-3-(1-cyanopropyl)urea
CID 61340054

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide?
The IUPAC name of 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide (CID 103951096) is 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide is CC(=O)c1ccc(NC(=O)NC(C(N)=O)C(C)C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide?
The InChIKey is JXGXIHGUPFCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)12(13(15)19)17-14(20)16-11-6-4-10(5-7-11)9(3)18/h4-8,12H,1-3H3,(H2,15,19)(H2,16,17,20).
What are the key properties of 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide?
2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide has a molecular weight of 277.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide is sourced from PubChem (CID 103951096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).