2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide

C22H20N2O2 — CID 69132844

IUPAC2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCOc1ccccc1C(c1cccc2ccccc12)C(C)(C#N)C(N)=O
InChIInChI=1S/C22H20N2O2/c1-22(14-23,21(24)25)20(18-11-5-6-13-19(18)26-2)17-12-7-9-15-8-3-4-10-16(15)17/h3-13,20H,1-2H3,(H2,24,25)
InChIKeyZJAOLUVZAYWNDE-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.00
Rot. Bonds5

About 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide

2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide (PubChem CID 69132844) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide
PubChem CID69132844
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide
SMILESCOc1ccccc1C(c1cccc2ccccc12)C(C)(C#N)C(N)=O
InChIInChI=1S/C22H20N2O2/c1-22(14-23,21(24)25)20(18-11-5-6-13-19(18)26-2)17-12-7-9-15-8-3-4-10-16(15)17/h3-13,20H,1-2H3,(H2,24,25)
InChIKeyZJAOLUVZAYWNDE-UHFFFAOYSA-N
XLogP4.00
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide 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

(2S)-2-(azetidine-1-carbonyl)-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile
CID 69133435
(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-(4-propanoylpiperidin-1-yl)propanenitrile
CID 69134127
N-tert-butyl-2-cyano-2-(methoxymethyl)-3-(2-methoxyphenyl)-3-naphthalen-1-ylpropanamide
CID 69133509
(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile
CID 69132956
2-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile
CID 11191703
(3S)-2-[4-(2,3-difluorophenyl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile
CID 69133603
4-[2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanoyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 69133062
(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 69133546
(2S)-2-cyano-4-(dimethylamino)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]butanoic acid
CID 69134133
2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-[4-(3-propan-2-ylphenyl)piperazin-1-yl]propanenitrile
CID 69133614
2-cyano-2-[(2,6-dichlorophenyl)methyl]-3-(2-methoxyphenyl)-3-naphthalen-1-ylpropanoic acid
CID 69133545
(2S,3S)-2-[4-(2,3-dihydro-1H-inden-4-yl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile
CID 11752890

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide (CID 69132844) is 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide is COc1ccccc1C(c1cccc2ccccc12)C(C)(C#N)C(N)=O.
What is the InChIKey of 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide?
The InChIKey is ZJAOLUVZAYWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-22(14-23,21(24)25)20(18-11-5-6-13-19(18)26-2)17-12-7-9-15-8-3-4-10-16(15)17/h3-13,20H,1-2H3,(H2,24,25).
What are the key properties of 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide?
2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide has a molecular weight of 344.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 69132844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).