1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea

C15H21N3O — CID 108912676

IUPAC1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
SMILESCc1ccc(NC(=O)NC=C2CCCCC2)c(N)c1
InChIInChI=1S/C15H21N3O/c1-11-7-8-14(13(16)9-11)18-15(19)17-10-12-5-3-2-4-6-12/h7-10H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyUYWKBLNFYKRGQU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.55
Rot. Bonds2

About 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea

1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea (PubChem CID 108912676) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
PubChem CID108912676
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
SMILESCc1ccc(NC(=O)NC=C2CCCCC2)c(N)c1
InChIInChI=1S/C15H21N3O/c1-11-7-8-14(13(16)9-11)18-15(19)17-10-12-5-3-2-4-6-12/h7-10H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyUYWKBLNFYKRGQU-UHFFFAOYSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylidenemethyl)-3-(2,4-dimethylphenyl)urea
CID 108912475
1-(cyclohexylidenemethyl)-3-(2,4-dichlorophenyl)urea
CID 108912397
1-(cyclohexylidenemethyl)-3-(2-methylphenyl)urea
CID 108912377
1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
CID 108912672
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
CID 127568642
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea (CID 108912676) is 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea is Cc1ccc(NC(=O)NC=C2CCCCC2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea?
The InChIKey is UYWKBLNFYKRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-7-8-14(13(16)9-11)18-15(19)17-10-12-5-3-2-4-6-12/h7-10H,2-6,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea?
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea has a molecular weight of 259.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).