2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide

C17H18N2O — CID 116829529

IUPAC2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide
SMILESCc1ccc2cc(C(C)(C)NC(=O)CC#N)ccc2c1
InChIInChI=1S/C17H18N2O/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(2,3)19-16(20)8-9-18/h4-7,10-11H,8H2,1-3H3,(H,19,20)
InChIKeyBBUHREHHMPGNQZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.41
Rot. Bonds3

About 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide

2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide (PubChem CID 116829529) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide
PubChem CID116829529
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide
SMILESCc1ccc2cc(C(C)(C)NC(=O)CC#N)ccc2c1
InChIInChI=1S/C17H18N2O/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(2,3)19-16(20)8-9-18/h4-7,10-11H,8H2,1-3H3,(H,19,20)
InChIKeyBBUHREHHMPGNQZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide
CID 116829500
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
N-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methyl]-2-cyanoacetamide
CID 22682093
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide (CID 116829529) is 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide is Cc1ccc2cc(C(C)(C)NC(=O)CC#N)ccc2c1.
What is the InChIKey of 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide?
The InChIKey is BBUHREHHMPGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-4-5-14-11-15(7-6-13(14)10-12)17(2,3)19-16(20)8-9-18/h4-7,10-11H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide?
2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 116829529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).