(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide

C12H15N3O3 — CID 2366200

IUPAC(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)NC(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-7(14-12(13)18)11(17)15-10-5-3-9(4-6-10)8(2)16/h3-7H,1-2H3,(H,15,17)(H3,13,14,18)/t7-/m1/s1
InChIKeyROWSWNVJXMKMOQ-SSDOTTSWSA-N
MW249.27 g/mol
LogP0.88
Rot. Bonds4

About (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide

(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide (PubChem CID 2366200) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
PubChem CID2366200
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)NC(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-7(14-12(13)18)11(17)15-10-5-3-9(4-6-10)8(2)16/h3-7H,1-2H3,(H,15,17)(H3,13,14,18)/t7-/m1/s1
InChIKeyROWSWNVJXMKMOQ-SSDOTTSWSA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
4-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]benzoic acid
CID 7019942
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide (CID 2366200) is (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)NC(N)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide?
The InChIKey is ROWSWNVJXMKMOQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(14-12(13)18)11(17)15-10-5-3-9(4-6-10)8(2)16/h3-7H,1-2H3,(H,15,17)(H3,13,14,18)/t7-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide?
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide is sourced from PubChem (CID 2366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).