N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide

C15H21N3O — CID 55140413

IUPACN-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-5-11(2)17-15(19)12(3)18(4)14-8-6-13(10-16)7-9-14/h6-9,11-12H,5H2,1-4H3,(H,17,19)
InChIKeyZBKBWHOUUJTAEB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds5

About N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide

N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide (PubChem CID 55140413) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
PubChem CID55140413
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O/c1-5-11(2)17-15(19)12(3)18(4)14-8-6-13(10-16)7-9-14/h6-9,11-12H,5H2,1-4H3,(H,17,19)
InChIKeyZBKBWHOUUJTAEB-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
CID 62983295
2-(4-cyano-N-methylanilino)propanoic acid
CID 62638661
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938
N-(4-cyanophenyl)-N,3-dimethylpentanamide
CID 114874745
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
3-(N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840433
ethyl 3-(4-cyano-N-methylanilino)-2-methylpropanoate
CID 62980813
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 42587370
(2S)-2-amino-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 79024420
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide (CID 55140413) is N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide is CCC(C)NC(=O)C(C)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide?
The InChIKey is ZBKBWHOUUJTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-11(2)17-15(19)12(3)18(4)14-8-6-13(10-16)7-9-14/h6-9,11-12H,5H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide?
N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-cyano-N-methylanilino)propanamide is sourced from PubChem (CID 55140413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).