2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide

C17H18N2O — CID 115188543

IUPAC2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
SMILESCc1ccc2cc(NC(=O)C(C#N)C(C)C)ccc2c1
InChIInChI=1S/C17H18N2O/c1-11(2)16(10-18)17(20)19-15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16H,1-3H3,(H,19,20)
InChIKeyWWOANWRTLPERPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.88
Rot. Bonds3

About 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide

2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide (PubChem CID 115188543) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
PubChem CID115188543
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
SMILESCc1ccc2cc(NC(=O)C(C#N)C(C)C)ccc2c1
InChIInChI=1S/C17H18N2O/c1-11(2)16(10-18)17(20)19-15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16H,1-3H3,(H,19,20)
InChIKeyWWOANWRTLPERPB-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559
3-[(6-methylnaphthalen-2-yl)amino]-3-oxopropanoic acid
CID 115163268
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115188542
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-methyl-2-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115165612
2-cyano-3-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 87012140

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide (CID 115188543) is 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide is Cc1ccc2cc(NC(=O)C(C#N)C(C)C)ccc2c1.
What is the InChIKey of 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide?
The InChIKey is WWOANWRTLPERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)16(10-18)17(20)19-15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16H,1-3H3,(H,19,20).
What are the key properties of 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide?
2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide has a molecular weight of 266.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide is sourced from PubChem (CID 115188543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).