1-(3-aminophenyl)-3-cyclopentylurea

C12H17N3O — CID 29267368

IUPAC1-(3-aminophenyl)-3-cyclopentylurea
SMILESNc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C12H17N3O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,13H2,(H2,14,15,16)
InChIKeyNTASFFGQDOXCJR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-aminophenyl)-3-cyclopentylurea

1-(3-aminophenyl)-3-cyclopentylurea (PubChem CID 29267368) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-cyclopentylurea
PubChem CID29267368
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-aminophenyl)-3-cyclopentylurea
SMILESNc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C12H17N3O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,13H2,(H2,14,15,16)
InChIKeyNTASFFGQDOXCJR-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.33
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-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-cyclohexyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825422
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
CID 55069368
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-cyclopentylurea?
The IUPAC name of 1-(3-aminophenyl)-3-cyclopentylurea (CID 29267368) is 1-(3-aminophenyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(3-aminophenyl)-3-cyclopentylurea?
The canonical SMILES for 1-(3-aminophenyl)-3-cyclopentylurea is Nc1cccc(NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-cyclopentylurea?
The InChIKey is NTASFFGQDOXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-9-4-3-7-11(8-9)15-12(16)14-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,13H2,(H2,14,15,16).
What are the key properties of 1-(3-aminophenyl)-3-cyclopentylurea?
1-(3-aminophenyl)-3-cyclopentylurea has a molecular weight of 219.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-cyclopentylurea is sourced from PubChem (CID 29267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).