1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea

C15H19N3O2 — CID 97347731

IUPAC1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C15H19N3O2/c1-2-20-14-9-4-3-7-13(14)18-15(19)17-12-8-5-6-11(12)10-16/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,17,18,19)/t11-,12+/m1/s1
InChIKeyJYMYAJCSGMDJGF-NEPJUHHUSA-N
MW273.34 g/mol
LogP2.90
Rot. Bonds4

About 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea

1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea (PubChem CID 97347731) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
PubChem CID97347731
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C15H19N3O2/c1-2-20-14-9-4-3-7-13(14)18-15(19)17-12-8-5-6-11(12)10-16/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,17,18,19)/t11-,12+/m1/s1
InChIKeyJYMYAJCSGMDJGF-NEPJUHHUSA-N
XLogP2.90
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide
CID 124864289
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
CID 108911873
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
N-(2,6-diethylphenyl)-2-[(1S,5S)-3-[(2-ethoxyphenyl)carbamoylamino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 98111238
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea (CID 97347731) is 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N.
What is the InChIKey of 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is JYMYAJCSGMDJGF-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-9-4-3-7-13(14)18-15(19)17-12-8-5-6-11(12)10-16/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,17,18,19)/t11-,12+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea?
1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 97347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).