N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide

C17H18N2O — CID 63928538

IUPACN-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
SMILESCC(C)C(C#N)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12(2)16(11-18)19-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10H2,1-2H3,(H,19,20)
InChIKeyFDUJPXHCLIUSGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.05
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide

N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide (PubChem CID 63928538) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
PubChem CID63928538
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
SMILESCC(C)C(C#N)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12(2)16(11-18)19-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10H2,1-2H3,(H,19,20)
InChIKeyFDUJPXHCLIUSGW-UHFFFAOYSA-N
XLogP3.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
(2S)-N-(2-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24535921
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
CID 114300915
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide (CID 63928538) is N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide is CC(C)C(C#N)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide?
The InChIKey is FDUJPXHCLIUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)16(11-18)19-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide?
N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide has a molecular weight of 266.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 63928538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).