N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide

C15H19N3O2 — CID 113001916

IUPACN-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O2/c1-3-12(4-2)15(20)17-10-14(19)18-13-7-5-6-11(8-13)9-16/h5-8,12H,3-4,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLHGYMJDBAAVEQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide

N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide (PubChem CID 113001916) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
PubChem CID113001916
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O2/c1-3-12(4-2)15(20)17-10-14(19)18-13-7-5-6-11(8-13)9-16/h5-8,12H,3-4,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyLHGYMJDBAAVEQP-UHFFFAOYSA-N
XLogP2.05
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-cyanoanilino)-2-oxoethyl]-2-methylbutanamide
CID 55939858
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224561
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
N-(3-cyanophenyl)octanamide
CID 4958584
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide (CID 113001916) is N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is LHGYMJDBAAVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-12(4-2)15(20)17-10-14(19)18-13-7-5-6-11(8-13)9-16/h5-8,12H,3-4,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide?
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 113001916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).