1-cyclohexyl-3-naphthalen-1-ylurea

C17H20N2O — CID 830951

IUPAC1-cyclohexyl-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H20N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,20)
InChIKeyTUVHQVHJITVXAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.29
Rot. Bonds2

About 1-cyclohexyl-3-naphthalen-1-ylurea

1-cyclohexyl-3-naphthalen-1-ylurea (PubChem CID 830951) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-naphthalen-1-ylurea
PubChem CID830951
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-cyclohexyl-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H20N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,20)
InChIKeyTUVHQVHJITVXAV-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-naphthalen-1-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-cyclohexyl-3-naphthalen-1-ylurea (CID 830951) is 1-cyclohexyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-cyclohexyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-cyclohexyl-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-naphthalen-1-ylurea?
The InChIKey is TUVHQVHJITVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-naphthalen-1-ylurea?
1-cyclohexyl-3-naphthalen-1-ylurea has a molecular weight of 268.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 830951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).