2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide

C17H22N2O — CID 78990662

IUPAC2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C17H22N2O/c1-13(2)9-10-19(16-7-8-16)17(20)11-14-3-5-15(12-18)6-4-14/h3-6,13,16H,7-11H2,1-2H3
InChIKeyJHTPNPDNHWPBBW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide

2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide (PubChem CID 78990662) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
PubChem CID78990662
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C17H22N2O/c1-13(2)9-10-19(16-7-8-16)17(20)11-14-3-5-15(12-18)6-4-14/h3-6,13,16H,7-11H2,1-2H3
InChIKeyJHTPNPDNHWPBBW-UHFFFAOYSA-N
XLogP3.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107032471
2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87016437
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113231690
4-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78983163
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide (CID 78990662) is 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The InChIKey is JHTPNPDNHWPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)9-10-19(16-7-8-16)17(20)11-14-3-5-15(12-18)6-4-14/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide?
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 78990662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).