2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide

C16H22N2O — CID 55259609

IUPAC2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
SMILESCCC(CC)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O/c1-4-15(5-2)12(3)18-16(19)10-13-6-8-14(11-17)9-7-13/h6-9,12,15H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyFXDXTBYASFSASW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide

2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide (PubChem CID 55259609) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
PubChem CID55259609
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
SMILESCCC(CC)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O/c1-4-15(5-2)12(3)18-16(19)10-13-6-8-14(11-17)9-7-13/h6-9,12,15H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyFXDXTBYASFSASW-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
CID 38943951
methyl 2-[[2-(4-cyanophenyl)acetyl]amino]-4-methylpentanoate
CID 62403491
ethyl (2S)-4-(4-cyanophenyl)-2-methyl-3-oxobutanoate
CID 129384790
2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 78961198

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide (CID 55259609) is 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide is CCC(CC)C(C)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide?
The InChIKey is FXDXTBYASFSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(5-2)12(3)18-16(19)10-13-6-8-14(11-17)9-7-13/h6-9,12,15H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide?
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide is sourced from PubChem (CID 55259609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).