3-cyano-N-ethyl-5-methyl-N-phenylhexanamide

C16H22N2O — CID 112516655

IUPAC3-cyano-N-ethyl-5-methyl-N-phenylhexanamide
SMILESCCN(C(=O)CC(C#N)CC(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-9-15)16(19)11-14(12-17)10-13(2)3/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyDNBPIGKDXSXXDH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.62
Rot. Bonds6

About 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide

3-cyano-N-ethyl-5-methyl-N-phenylhexanamide (PubChem CID 112516655) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-5-methyl-N-phenylhexanamide
PubChem CID112516655
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-cyano-N-ethyl-5-methyl-N-phenylhexanamide
SMILESCCN(C(=O)CC(C#N)CC(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-9-15)16(19)11-14(12-17)10-13(2)3/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyDNBPIGKDXSXXDH-UHFFFAOYSA-N
XLogP3.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
CID 106935311
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide
CID 111108185
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943
4-amino-N-ethyl-3-naphthalen-1-yl-N-phenylbutanamide
CID 82138931
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide?
The IUPAC name of 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide (CID 112516655) is 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide.
What is the SMILES notation for 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide?
The canonical SMILES for 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide is CCN(C(=O)CC(C#N)CC(C)C)c1ccccc1.
What is the InChIKey of 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide?
The InChIKey is DNBPIGKDXSXXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18(15-8-6-5-7-9-15)16(19)11-14(12-17)10-13(2)3/h5-9,13-14H,4,10-11H2,1-3H3.
What are the key properties of 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide?
3-cyano-N-ethyl-5-methyl-N-phenylhexanamide has a molecular weight of 258.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-5-methyl-N-phenylhexanamide is sourced from PubChem (CID 112516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).