3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide

C13H18ClN3O2 — CID 42971295

IUPAC3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
SMILESCCCNC(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-2-7-16-12(18)8-11(17-13(15)19)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyBLCAOFOQIASJAQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.97
Rot. Bonds6

About 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide

3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide (PubChem CID 42971295) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
PubChem CID42971295
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
SMILESCCCNC(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-2-7-16-12(18)8-11(17-13(15)19)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyBLCAOFOQIASJAQ-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide 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

[2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 7838517
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727553
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727558
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070
3-(carbamoylamino)-3-(4-chlorophenyl)-N-prop-2-enylpropanamide
CID 17407749
propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 43020953
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
methyl 4-[[[(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoyl]amino]methyl]benzoate
CID 51968939
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
2-(4-ethoxyphenoxy)ethyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607008
(3S)-N-butyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783583

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide?
The IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide (CID 42971295) is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide is CCCNC(=O)CC(NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide?
The InChIKey is BLCAOFOQIASJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-7-16-12(18)8-11(17-13(15)19)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,16,18)(H3,15,17,19).
What are the key properties of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide?
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide is sourced from PubChem (CID 42971295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).