1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea

C16H25N3O — CID 16783058

IUPAC1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
SMILESNCCCN(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-12-7-13-19(15-10-5-2-6-11-15)16(20)18-14-8-3-1-4-9-14/h2,5-6,10-11,14H,1,3-4,7-9,12-13,17H2,(H,18,20)
InChIKeyJXRSPAFQYZOAPG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea

1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea (PubChem CID 16783058) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
PubChem CID16783058
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
SMILESNCCCN(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-12-7-13-19(15-10-5-2-6-11-15)16(20)18-14-8-3-1-4-9-14/h2,5-6,10-11,14H,1,3-4,7-9,12-13,17H2,(H,18,20)
InChIKeyJXRSPAFQYZOAPG-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea 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

3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclopentyl-1-phenylurea;methyl 4-[[N-(cyclopentylcarbamoyl)anilino]methyl]benzoate
CID 159783381
1-[3-(cyclohexylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-phenylurea
CID 42704537

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea?
The IUPAC name of 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea (CID 16783058) is 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea is NCCCN(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea?
The InChIKey is JXRSPAFQYZOAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-12-7-13-19(15-10-5-2-6-11-15)16(20)18-14-8-3-1-4-9-14/h2,5-6,10-11,14H,1,3-4,7-9,12-13,17H2,(H,18,20).
What are the key properties of 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea?
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea has a molecular weight of 275.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea is sourced from PubChem (CID 16783058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).