1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea

C16H26ClN3O — CID 79663881

IUPAC1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
SMILESCCCN(CC(C)(C)CN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-5-8-20(11-16(3,4)10-18)15(21)19-13-7-6-12(2)14(17)9-13/h6-7,9H,5,8,10-11,18H2,1-4H3,(H,19,21)
InChIKeyMYQKPXSSETVKHB-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.88
Rot. Bonds6

About 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea

1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea (PubChem CID 79663881) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
PubChem CID79663881
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
SMILESCCCN(CC(C)(C)CN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-5-8-20(11-16(3,4)10-18)15(21)19-13-7-6-12(2)14(17)9-13/h6-7,9H,5,8,10-11,18H2,1-4H3,(H,19,21)
InChIKeyMYQKPXSSETVKHB-UHFFFAOYSA-N
XLogP3.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea 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-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
1-N-(3-chloro-4-methylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056621
3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613331
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
CID 79667605
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(3-chloro-4-methylphenyl)carbamoyl-propylamino]acetamide
CID 4563082
3-(3,4-dichlorophenyl)-1-(2-hydroxypropyl)-1-propylurea
CID 20788075
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea (CID 79663881) is 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea is CCCN(CC(C)(C)CN)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea?
The InChIKey is MYQKPXSSETVKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-8-20(11-16(3,4)10-18)15(21)19-13-7-6-12(2)14(17)9-13/h6-7,9H,5,8,10-11,18H2,1-4H3,(H,19,21).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea?
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea has a molecular weight of 311.86 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea is sourced from PubChem (CID 79663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).