1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea

C15H20N4O — CID 106737757

IUPAC1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NC(CN)C2CCCC2)c1
InChIInChI=1S/C15H20N4O/c16-9-11-4-3-7-13(8-11)18-15(20)19-14(10-17)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,10,17H2,(H2,18,19,20)
InChIKeyWYLKZUWLHNSZMK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea

1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea (PubChem CID 106737757) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
PubChem CID106737757
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NC(CN)C2CCCC2)c1
InChIInChI=1S/C15H20N4O/c16-9-11-4-3-7-13(8-11)18-15(20)19-14(10-17)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,10,17H2,(H2,18,19,20)
InChIKeyWYLKZUWLHNSZMK-UHFFFAOYSA-N
XLogP2.20
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94779767
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
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CID 9265356
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea (CID 106737757) is 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)NC(CN)C2CCCC2)c1.
What is the InChIKey of 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea?
The InChIKey is WYLKZUWLHNSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-9-11-4-3-7-13(8-11)18-15(20)19-14(10-17)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,10,17H2,(H2,18,19,20).
What are the key properties of 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea?
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea is sourced from PubChem (CID 106737757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).