2-(3-cyanoanilino)-N-pentan-2-ylpropanamide

C15H21N3O — CID 43113543

IUPAC2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-4-6-11(2)17-15(19)12(3)18-14-8-5-7-13(9-14)10-16/h5,7-9,11-12,18H,4,6H2,1-3H3,(H,17,19)
InChIKeyAGYUPQXUCRVMFM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds6

About 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide

2-(3-cyanoanilino)-N-pentan-2-ylpropanamide (PubChem CID 43113543) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
PubChem CID43113543
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-4-6-11(2)17-15(19)12(3)18-14-8-5-7-13(9-14)10-16/h5,7-9,11-12,18H,4,6H2,1-3H3,(H,17,19)
InChIKeyAGYUPQXUCRVMFM-UHFFFAOYSA-N
XLogP2.66
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
3-(6-methylheptan-2-ylamino)benzonitrile
CID 102815676
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide (CID 43113543) is 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide?
The InChIKey is AGYUPQXUCRVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-6-11(2)17-15(19)12(3)18-14-8-5-7-13(9-14)10-16/h5,7-9,11-12,18H,4,6H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide?
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43113543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).