2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide

C14H18N2O2 — CID 115188138

IUPAC2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-5-11(8-15)14(17)16-12-6-7-13(18-4)10(3)9(12)2/h6-7,11H,5H2,1-4H3,(H,16,17)
InChIKeyIKXDDGMFAJGKCN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.80
Rot. Bonds4

About 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide

2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide (PubChem CID 115188138) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
PubChem CID115188138
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-5-11(8-15)14(17)16-12-6-7-13(18-4)10(3)9(12)2/h6-7,11H,5H2,1-4H3,(H,16,17)
InChIKeyIKXDDGMFAJGKCN-UHFFFAOYSA-N
XLogP2.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
2-cyano-N-[2-(dimethylamino)phenyl]butanamide
CID 106759912
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
2-cyano-N-(4,5-dimethyl-2-nitrophenyl)butanamide
CID 107856921
2-cyano-N-(2-methyl-5-nitrophenyl)butanamide
CID 114009708

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide?
The IUPAC name of 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide (CID 115188138) is 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide is CCC(C#N)C(=O)Nc1ccc(OC)c(C)c1C.
What is the InChIKey of 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide?
The InChIKey is IKXDDGMFAJGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-11(8-15)14(17)16-12-6-7-13(18-4)10(3)9(12)2/h6-7,11H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide?
2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide has a molecular weight of 246.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide is sourced from PubChem (CID 115188138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).