1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea

C15H23N3O2 — CID 61013606

IUPAC1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
SMILESCOc1ccc(N)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-14-8-7-12(16)9-11(14)10-17-15(19)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H2,17,18,19)
InChIKeyINFQOWIIRCWOOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.41
Rot. Bonds4

About 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea

1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea (PubChem CID 61013606) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
PubChem CID61013606
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
SMILESCOc1ccc(N)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-14-8-7-12(16)9-11(14)10-17-15(19)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H2,17,18,19)
InChIKeyINFQOWIIRCWOOH-UHFFFAOYSA-N
XLogP2.41
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 61014070
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea?
The IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea (CID 61013606) is 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea is COc1ccc(N)cc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea?
The InChIKey is INFQOWIIRCWOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-8-7-12(16)9-11(14)10-17-15(19)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea?
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea has a molecular weight of 277.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea is sourced from PubChem (CID 61013606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).