(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'}

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

2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
CID 75386019
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate
CID 56527911
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
CID 166378121
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573

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).