2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide

C15H20N2O2 — CID 115188135

IUPAC2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H20N2O2/c1-5-11(9-16)15(18)17-13-7-6-12(10(2)3)8-14(13)19-4/h6-8,10-11H,5H2,1-4H3,(H,17,18)
InChIKeyNWDPPHAAWHURJS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.31
Rot. Bonds5

About 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide

2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide (PubChem CID 115188135) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
PubChem CID115188135
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H20N2O2/c1-5-11(9-16)15(18)17-13-7-6-12(10(2)3)8-14(13)19-4/h6-8,10-11H,5H2,1-4H3,(H,17,18)
InChIKeyNWDPPHAAWHURJS-UHFFFAOYSA-N
XLogP3.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide 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-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
CID 115188138
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide (CID 115188135) is 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide is CCC(C#N)C(=O)Nc1ccc(C(C)C)cc1OC.
What is the InChIKey of 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide?
The InChIKey is NWDPPHAAWHURJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-11(9-16)15(18)17-13-7-6-12(10(2)3)8-14(13)19-4/h6-8,10-11H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide?
2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 115188135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).