1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea

C16H24N2O2 — CID 110774921

IUPAC1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
SMILESCOc1cc(C)c(C)cc1CNC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-17-16(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyAHHLCHDOKQCYAN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea

1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea (PubChem CID 110774921) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
PubChem CID110774921
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
SMILESCOc1cc(C)c(C)cc1CNC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-17-16(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyAHHLCHDOKQCYAN-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110775535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea (CID 110774921) is 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea is COc1cc(C)c(C)cc1CNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea?
The InChIKey is AHHLCHDOKQCYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-17-16(19)18-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea?
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea is sourced from PubChem (CID 110774921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).