2-(2-cyano-6-methylanilino)-N-propylpropanamide

C14H19N3O — CID 107106624

IUPAC2-(2-cyano-6-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(C)cccc1C#N
InChIInChI=1S/C14H19N3O/c1-4-8-16-14(18)11(3)17-13-10(2)6-5-7-12(13)9-15/h5-7,11,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyLSWRWIBJDIHDOZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-cyano-6-methylanilino)-N-propylpropanamide

2-(2-cyano-6-methylanilino)-N-propylpropanamide (PubChem CID 107106624) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-cyano-6-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-cyano-6-methylanilino)-N-propylpropanamide
PubChem CID107106624
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-cyano-6-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(C)cccc1C#N
InChIInChI=1S/C14H19N3O/c1-4-8-16-14(18)11(3)17-13-10(2)6-5-7-12(13)9-15/h5-7,11,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyLSWRWIBJDIHDOZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
2-(4-hydroxypentan-2-ylamino)-3-methylbenzonitrile
CID 107107180
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(2-cyano-6-methylanilino)ethylurea
CID 107107166
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
2-(2-chloro-6-nitroanilino)-N-propylpropanamide
CID 62085502
N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
CID 107107106
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-6-methylanilino)-N-propylpropanamide?
The IUPAC name of 2-(2-cyano-6-methylanilino)-N-propylpropanamide (CID 107106624) is 2-(2-cyano-6-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(2-cyano-6-methylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(2-cyano-6-methylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1c(C)cccc1C#N.
What is the InChIKey of 2-(2-cyano-6-methylanilino)-N-propylpropanamide?
The InChIKey is LSWRWIBJDIHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-8-16-14(18)11(3)17-13-10(2)6-5-7-12(13)9-15/h5-7,11,17H,4,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-cyano-6-methylanilino)-N-propylpropanamide?
2-(2-cyano-6-methylanilino)-N-propylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-6-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 107106624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).