(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide

C18H20N2O3 — CID 98200987

IUPAC(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
SMILESN#C[C@H](C(=O)CCC(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H20N2O3/c19-12-15(18(23)20-14-8-4-5-9-14)17(22)11-10-16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-11H2,(H,20,23)/t15-/m1/s1
InChIKeyCHGLXBWXHVYBAF-OAHLLOKOSA-N
MW312.37 g/mol
LogP2.42
Rot. Bonds7

About (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide

(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide (PubChem CID 98200987) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
PubChem CID98200987
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
SMILESN#C[C@H](C(=O)CCC(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H20N2O3/c19-12-15(18(23)20-14-8-4-5-9-14)17(22)11-10-16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-11H2,(H,20,23)/t15-/m1/s1
InChIKeyCHGLXBWXHVYBAF-OAHLLOKOSA-N
XLogP2.42
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 99625983
2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 91641621
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentyl]thiophene-3-carboxamide
CID 87011948
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
2-(1-cyclohexyl-3-oxo-3-phenylpropyl)propanedinitrile
CID 101484964
2-cyano-N-cyclopropyl-3-oxo-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 71940186
(E,2S)-2-cyano-N-cyclopentyl-6-(2-methoxyphenyl)-5-methyl-3-oxohex-4-enamide
CID 98184686
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide
CID 98361614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide?
The IUPAC name of (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide (CID 98200987) is (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide.
What is the SMILES notation for (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide?
The canonical SMILES for (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide is N#C[C@H](C(=O)CCC(=O)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide?
The InChIKey is CHGLXBWXHVYBAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-12-15(18(23)20-14-8-4-5-9-14)17(22)11-10-16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-11H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide?
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide has a molecular weight of 312.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide is sourced from PubChem (CID 98200987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).