1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea

C13H19N3O — CID 63279412

IUPAC1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12(9)16-13(17)15-11-7-5-10(14)6-8-11/h5-9,12H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyCZFDHMBQGWRWDJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea

1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea (PubChem CID 63279412) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
PubChem CID63279412
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12(9)16-13(17)15-11-7-5-10(14)6-8-11/h5-9,12H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyCZFDHMBQGWRWDJ-UHFFFAOYSA-N
XLogP2.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.58
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-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea (CID 63279412) is 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea is CC1CCCC1NC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea?
The InChIKey is CZFDHMBQGWRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-4-12(9)16-13(17)15-11-7-5-10(14)6-8-11/h5-9,12H,2-4,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea?
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea has a molecular weight of 233.31 g/mol, XLogP of 2.58, 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-(2-methylcyclopentyl)urea is sourced from PubChem (CID 63279412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).