2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide

C13H19N3O2 — CID 24641052

IUPAC2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-8(2)10-4-6-11(7-5-10)16-12(17)9(3)15-13(14)18/h4-9H,1-3H3,(H,16,17)(H3,14,15,18)
InChIKeyBOMSIEFBTCJBLW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.81
Rot. Bonds4

About 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide

2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 24641052) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID24641052
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-8(2)10-4-6-11(7-5-10)16-12(17)9(3)15-13(14)18/h4-9H,1-3H3,(H,16,17)(H3,14,15,18)
InChIKeyBOMSIEFBTCJBLW-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 113416059
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide (CID 24641052) is 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide is CC(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is BOMSIEFBTCJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)10-4-6-11(7-5-10)16-12(17)9(3)15-13(14)18/h4-9H,1-3H3,(H,16,17)(H3,14,15,18).
What are the key properties of 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide?
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24641052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).