1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea

C17H25ClN2O2 — CID 111505907

IUPAC1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C17H25ClN2O2/c1-12(9-10-21)11-19-17(22)20-16(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16,21H,2-4,9-11H2,1H3,(H2,19,20,22)
InChIKeyZCEXXRUHVGJNCY-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.50
Rot. Bonds7

About 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111505907) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111505907
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C17H25ClN2O2/c1-12(9-10-21)11-19-17(22)20-16(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16,21H,2-4,9-11H2,1H3,(H2,19,20,22)
InChIKeyZCEXXRUHVGJNCY-UHFFFAOYSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111104244
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71980792
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111505907) is 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is ZCEXXRUHVGJNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(9-10-21)11-19-17(22)20-16(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16,21H,2-4,9-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 324.85 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111505907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).