2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide

C15H14N2O — CID 115173236

IUPAC2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CC#N
InChIInChI=1S/C15H14N2O/c1-17(15(18)9-10-16)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9,11H2,1H3
InChIKeyGJPGHTYHXGQHLD-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.71
Rot. Bonds3

About 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide

2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 115173236) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID115173236
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CC#N
InChIInChI=1S/C15H14N2O/c1-17(15(18)9-10-16)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9,11H2,1H3
InChIKeyGJPGHTYHXGQHLD-UHFFFAOYSA-N
XLogP2.71
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 86832135
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
CID 124596970
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide (CID 115173236) is 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide is CN(Cc1cccc2ccccc12)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is GJPGHTYHXGQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(15(18)9-10-16)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9,11H2,1H3.
What are the key properties of 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide?
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 115173236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).