(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide

C18H22N2O3 — CID 95352740

IUPAC(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
SMILESCNC(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-20-18(22)16(12-19)17(21)10-9-13-5-4-8-15(11-13)23-14-6-2-3-7-14/h4-5,8,11,14,16H,2-3,6-7,9-10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyUOIQANDZQCPQJR-MRXNPFEDSA-N
MW314.39 g/mol
LogP2.40
Rot. Bonds7

About (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide

(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide (PubChem CID 95352740) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide.

Molecular Properties

Compound Name(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
PubChem CID95352740
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
SMILESCNC(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-20-18(22)16(12-19)17(21)10-9-13-5-4-8-15(11-13)23-14-6-2-3-7-14/h4-5,8,11,14,16H,2-3,6-7,9-10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyUOIQANDZQCPQJR-MRXNPFEDSA-N
XLogP2.40
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide?
The IUPAC name of (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide (CID 95352740) is (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide.
What is the SMILES notation for (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide?
The canonical SMILES for (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide is CNC(=O)[C@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1.
What is the InChIKey of (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide?
The InChIKey is UOIQANDZQCPQJR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-18(22)16(12-19)17(21)10-9-13-5-4-8-15(11-13)23-14-6-2-3-7-14/h4-5,8,11,14,16H,2-3,6-7,9-10H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide?
(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide has a molecular weight of 314.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide is sourced from PubChem (CID 95352740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).