(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide

C22H20N2O3 — CID 99625983

IUPAC(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
SMILESN#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C22H20N2O3/c23-14-19(22(27)24-18-10-11-18)21(26)13-12-20(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-13H2,(H,24,27)/t19-/m1/s1
InChIKeyOFJOIBPTJTYDSE-LJQANCHMSA-N
MW360.41 g/mol
LogP3.30
Rot. Bonds8

About (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide

(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide (PubChem CID 99625983) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
PubChem CID99625983
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
SMILESN#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C22H20N2O3/c23-14-19(22(27)24-18-10-11-18)21(26)13-12-20(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-13H2,(H,24,27)/t19-/m1/s1
InChIKeyOFJOIBPTJTYDSE-LJQANCHMSA-N
XLogP3.30
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.30
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-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide with MolForge

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Related Compounds

2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 91641621
(2R)-2-cyano-N-cyclopentyl-3,6-dioxo-6-phenylhexanamide
CID 98200987
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
2-cyano-N-cyclopropyl-3-oxo-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 71940186
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
CID 63318739
2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide
CID 75500431
N-[1-(4-phenylphenyl)ethenyl]cyclopropanamine
CID 143032904
2-cyano-N-cyclohexyl-6-(2-fluorophenoxy)-3-oxohexanamide
CID 60554785
[2-oxo-2-(4-phenylphenyl)ethyl] thiocyanate
CID 13180596
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentyl]thiophene-3-carboxamide
CID 87011948

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide?
The IUPAC name of (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide (CID 99625983) is (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide.
What is the SMILES notation for (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide?
The canonical SMILES for (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide is N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide?
The InChIKey is OFJOIBPTJTYDSE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-14-19(22(27)24-18-10-11-18)21(26)13-12-20(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-13H2,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide?
(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide has a molecular weight of 360.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide is sourced from PubChem (CID 99625983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).