N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide

C15H21N3O — CID 107804289

IUPACN-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H21N3O/c1-5-11(3)17-15(19)12(4)18-14-8-6-7-10(2)13(14)9-16/h6-8,11-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyOOGOHZMBJRGAFS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds5

About N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide

N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide (PubChem CID 107804289) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
PubChem CID107804289
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H21N3O/c1-5-11(3)17-15(19)12(4)18-14-8-6-7-10(2)13(14)9-16/h6-8,11-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyOOGOHZMBJRGAFS-UHFFFAOYSA-N
XLogP2.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
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CID 107804498
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
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2-(1-cyanopropylamino)-6-methylbenzonitrile
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N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611
N-butan-2-yl-2-(2-cyano-4-fluoroanilino)propanamide
CID 82015893
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
2-[(2-cyano-3-methylphenyl)carbamoylamino]pentanoic acid
CID 107799883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide (CID 107804289) is N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide is CCC(C)NC(=O)C(C)Nc1cccc(C)c1C#N.
What is the InChIKey of N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide?
The InChIKey is OOGOHZMBJRGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-11(3)17-15(19)12(4)18-14-8-6-7-10(2)13(14)9-16/h6-8,11-12,18H,5H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide?
N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide is sourced from PubChem (CID 107804289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).