1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea

C19H29N3O2 — CID 75533666

IUPAC1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(N2CCCCCC2)c1)NC1CCC(O)CC1
InChIInChI=1S/C19H29N3O2/c23-18-10-8-15(9-11-18)20-19(24)21-16-6-5-7-17(14-16)22-12-3-1-2-4-13-22/h5-7,14-15,18,23H,1-4,8-13H2,(H2,20,21,24)
InChIKeyMSOGFSGWFORZCZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.49
Rot. Bonds3

About 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea

1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 75533666) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID75533666
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(N2CCCCCC2)c1)NC1CCC(O)CC1
InChIInChI=1S/C19H29N3O2/c23-18-10-8-15(9-11-18)20-19(24)21-16-6-5-7-17(14-16)22-12-3-1-2-4-13-22/h5-7,14-15,18,23H,1-4,8-13H2,(H2,20,21,24)
InChIKeyMSOGFSGWFORZCZ-UHFFFAOYSA-N
XLogP3.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea 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-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-(4-hydroxycyclohexyl)-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050637
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-piperidin-1-ylphenyl)urea
CID 111976343
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea (CID 75533666) is 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea is O=C(Nc1cccc(N2CCCCCC2)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is MSOGFSGWFORZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18-10-8-15(9-11-18)20-19(24)21-16-6-5-7-17(14-16)22-12-3-1-2-4-13-22/h5-7,14-15,18,23H,1-4,8-13H2,(H2,20,21,24).
What are the key properties of 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea?
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 331.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 75533666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).