N-butan-2-yl-3-(3-cyanoanilino)propanamide

C14H19N3O — CID 109013061

IUPACN-butan-2-yl-3-(3-cyanoanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-3-11(2)17-14(18)7-8-16-13-6-4-5-12(9-13)10-15/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyXIKJBWOEPLCHKH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds6

About N-butan-2-yl-3-(3-cyanoanilino)propanamide

N-butan-2-yl-3-(3-cyanoanilino)propanamide (PubChem CID 109013061) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-cyanoanilino)propanamide
PubChem CID109013061
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-butan-2-yl-3-(3-cyanoanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-3-11(2)17-14(18)7-8-16-13-6-4-5-12(9-13)10-15/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyXIKJBWOEPLCHKH-UHFFFAOYSA-N
XLogP2.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
CID 61021223
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
N-butan-2-yl-3-(4-cyano-3-fluoroanilino)propanamide
CID 115367391
N-butan-2-yl-3-(3-nitroanilino)propanamide
CID 54893739
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
3-(3-ethynylanilino)-N-propan-2-ylpropanamide
CID 62624986
methyl 3-(3-cyanoanilino)propanoate;hydrochloride
CID 69208623
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-cyanoanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-cyanoanilino)propanamide (CID 109013061) is N-butan-2-yl-3-(3-cyanoanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-cyanoanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-cyanoanilino)propanamide is CCC(C)NC(=O)CCNc1cccc(C#N)c1.
What is the InChIKey of N-butan-2-yl-3-(3-cyanoanilino)propanamide?
The InChIKey is XIKJBWOEPLCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-11(2)17-14(18)7-8-16-13-6-4-5-12(9-13)10-15/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-(3-cyanoanilino)propanamide?
N-butan-2-yl-3-(3-cyanoanilino)propanamide has a molecular weight of 245.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-cyanoanilino)propanamide is sourced from PubChem (CID 109013061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).