N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide

C15H19N3O2 — CID 71931824

IUPACN-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)3-8-14(19)17-10-15(20)18-13-6-4-12(9-16)5-7-13/h4-7,11H,3,8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyANLIXOXAUANTNK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide

N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide (PubChem CID 71931824) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide
PubChem CID71931824
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)3-8-14(19)17-10-15(20)18-13-6-4-12(9-16)5-7-13/h4-7,11H,3,8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyANLIXOXAUANTNK-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide (CID 71931824) is N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide?
The InChIKey is ANLIXOXAUANTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)3-8-14(19)17-10-15(20)18-13-6-4-12(9-16)5-7-13/h4-7,11H,3,8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide?
N-[2-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide 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-(4-cyanoanilino)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 71931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).