1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea

C13H17N3O — CID 108913432

IUPAC1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
SMILESNc1ccc(NC(=O)NC=C2CCCC2)cc1
InChIInChI=1S/C13H17N3O/c14-11-5-7-12(8-6-11)16-13(17)15-9-10-3-1-2-4-10/h5-9H,1-4,14H2,(H2,15,16,17)
InChIKeyVTQMGMYWIXOTQA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea

1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea (PubChem CID 108913432) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
PubChem CID108913432
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
SMILESNc1ccc(NC(=O)NC=C2CCCC2)cc1
InChIInChI=1S/C13H17N3O/c14-11-5-7-12(8-6-11)16-13(17)15-9-10-3-1-2-4-10/h5-9H,1-4,14H2,(H2,15,16,17)
InChIKeyVTQMGMYWIXOTQA-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
1-(cyclohexylidenemethyl)-3-pyrimidin-2-ylurea
CID 108912511
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
CID 108913299
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
1-(4-iodophenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913332
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
CID 108913655
2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108913213
1-(5-bromopyrimidin-2-yl)-3-(cyclohexylidenemethyl)urea
CID 108912714

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea (CID 108913432) is 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea is Nc1ccc(NC(=O)NC=C2CCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea?
The InChIKey is VTQMGMYWIXOTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-5-7-12(8-6-11)16-13(17)15-9-10-3-1-2-4-10/h5-9H,1-4,14H2,(H2,15,16,17).
What are the key properties of 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea?
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea has a molecular weight of 231.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea is sourced from PubChem (CID 108913432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).