N-(5-cyano-2-methylphenyl)-2-ethylhexanamide

C16H22N2O — CID 47475993

IUPACN-(5-cyano-2-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H22N2O/c1-4-6-7-14(5-2)16(19)18-15-10-13(11-17)9-8-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyGBZWMZBTJWPRRX-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.02
Rot. Bonds6

About N-(5-cyano-2-methylphenyl)-2-ethylhexanamide

N-(5-cyano-2-methylphenyl)-2-ethylhexanamide (PubChem CID 47475993) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-ethylhexanamide
PubChem CID47475993
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(5-cyano-2-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H22N2O/c1-4-6-7-14(5-2)16(19)18-15-10-13(11-17)9-8-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyGBZWMZBTJWPRRX-UHFFFAOYSA-N
XLogP4.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
CID 146667862
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
N-(5-cyano-2-pyridinyl)-2-ethylhexanamide
CID 55063088
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-4-methylsulfanylbutanamide
CID 62103015
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
N-(5-cyano-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107027948
(4-cyanophenyl) 2-ethylhexanoate
CID 11086042
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-ethylhexanamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-ethylhexanamide (CID 47475993) is N-(5-cyano-2-methylphenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-ethylhexanamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(C#N)ccc1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-ethylhexanamide?
The InChIKey is GBZWMZBTJWPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-6-7-14(5-2)16(19)18-15-10-13(11-17)9-8-12(15)3/h8-10,14H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-ethylhexanamide?
N-(5-cyano-2-methylphenyl)-2-ethylhexanamide has a molecular weight of 258.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-ethylhexanamide is sourced from PubChem (CID 47475993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).