2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide

C15H21N3O2 — CID 107467514

IUPAC2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
SMILESCOc1cccc(C#N)c1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)9-17-15(19)11(3)18-14-12(8-16)6-5-7-13(14)20-4/h5-7,10-11,18H,9H2,1-4H3,(H,17,19)
InChIKeyBKVKTVCEHSIAFD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide

2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide (PubChem CID 107467514) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
PubChem CID107467514
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
SMILESCOc1cccc(C#N)c1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)9-17-15(19)11(3)18-14-12(8-16)6-5-7-13(14)20-4/h5-7,10-11,18H,9H2,1-4H3,(H,17,19)
InChIKeyBKVKTVCEHSIAFD-UHFFFAOYSA-N
XLogP2.14
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574
2-(3-cyano-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 104718038
3-methoxy-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107467458
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 107467410
2-(2-cyano-6-methylanilino)-N-propylpropanamide
CID 107106624
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide (CID 107467514) is 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide is COc1cccc(C#N)c1NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is BKVKTVCEHSIAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)9-17-15(19)11(3)18-14-12(8-16)6-5-7-13(14)20-4/h5-7,10-11,18H,9H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide?
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107467514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).