1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea

C15H23N3O — CID 110490871

IUPAC1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C15H23N3O/c1-11(2)17-14(19)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3,(H2,17,18,19)
InChIKeySZUUHEPCEKNYIA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds3

About 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea

1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea (PubChem CID 110490871) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
PubChem CID110490871
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C15H23N3O/c1-11(2)17-14(19)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3,(H2,17,18,19)
InChIKeySZUUHEPCEKNYIA-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
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-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
CID 110490928
2-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]acetic acid
CID 110490899
(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide
CID 95383338
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95760999
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95761001
N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide
CID 69352252
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea (CID 110490871) is 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1(c2ccc(N)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea?
The InChIKey is SZUUHEPCEKNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-14(19)18-15(9-3-4-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea?
1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea has a molecular weight of 261.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea is sourced from PubChem (CID 110490871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).