1-[2-(azepan-1-yl)phenyl]-3-propylurea

C16H25N3O — CID 47201899

IUPAC1-[2-(azepan-1-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-11-17-16(20)18-14-9-5-6-10-15(14)19-12-7-3-4-8-13-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H2,17,18,20)
InChIKeyRCIXFELLIUCDEQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-(azepan-1-yl)phenyl]-3-propylurea

1-[2-(azepan-1-yl)phenyl]-3-propylurea (PubChem CID 47201899) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)phenyl]-3-propylurea
PubChem CID47201899
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-(azepan-1-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-2-11-17-16(20)18-14-9-5-6-10-15(14)19-12-7-3-4-8-13-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H2,17,18,20)
InChIKeyRCIXFELLIUCDEQ-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(azepan-1-yl)phenyl]-3-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

1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
1-[2-(azepan-1-yl)phenyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 60550959
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[2-(azepan-1-yl)phenyl]-3-propylurea (CID 47201899) is 1-[2-(azepan-1-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-(azepan-1-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[2-(azepan-1-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)phenyl]-3-propylurea?
The InChIKey is RCIXFELLIUCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-11-17-16(20)18-14-9-5-6-10-15(14)19-12-7-3-4-8-13-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(azepan-1-yl)phenyl]-3-propylurea?
1-[2-(azepan-1-yl)phenyl]-3-propylurea has a molecular weight of 275.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)phenyl]-3-propylurea is sourced from PubChem (CID 47201899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).