2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide

C15H21N3O — CID 62983295

IUPAC2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-13(9-16)6-8-14/h5-8,11-12H,10H2,1-4H3,(H,17,19)
InChIKeyVEUQDUHIESGZPN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide

2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 62983295) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
PubChem CID62983295
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-13(9-16)6-8-14/h5-8,11-12H,10H2,1-4H3,(H,17,19)
InChIKeyVEUQDUHIESGZPN-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
CID 55140413
2-(4-cyano-N-methylanilino)propanoic acid
CID 62638661
2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
CID 62970312
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62983203
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62982263
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815
[2-(2-methylpropylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2432900
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
CID 61388593
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide (CID 62983295) is 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is VEUQDUHIESGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-13(9-16)6-8-14/h5-8,11-12H,10H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide?
2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62983295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).