1-(3-hydroxybutyl)-3-naphthalen-2-ylurea

C15H18N2O2 — CID 111336742

IUPAC1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
SMILESCC(O)CCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c1-11(18)8-9-16-15(19)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,16,17,19)
InChIKeyLDGFFJBXAFIKJE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea

1-(3-hydroxybutyl)-3-naphthalen-2-ylurea (PubChem CID 111336742) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
PubChem CID111336742
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
SMILESCC(O)CCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c1-11(18)8-9-16-15(19)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,16,17,19)
InChIKeyLDGFFJBXAFIKJE-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea 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-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
1-(3-hydroxybutyl)-3-[3-(3-methylbutoxy)phenyl]urea
CID 111336903
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea (CID 111336742) is 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea is CC(O)CCNC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea?
The InChIKey is LDGFFJBXAFIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)8-9-16-15(19)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea?
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea has a molecular weight of 258.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 111336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).