2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide

C15H21N3O — CID 47475199

IUPAC2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(C#N)cc1NCC(=O)NCCC(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)6-7-17-15(19)10-18-14-8-13(9-16)5-4-12(14)3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyYFSVUABSCHMMOP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds6

About 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide

2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 47475199) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
PubChem CID47475199
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(C#N)cc1NCC(=O)NCCC(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)6-7-17-15(19)10-18-14-8-13(9-16)5-4-12(14)3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyYFSVUABSCHMMOP-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
3-[(3-hydroxy-2-methylpropyl)amino]-4-methylbenzonitrile
CID 115872017
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
4-methyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47064084
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 78916121
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide (CID 47475199) is 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide is Cc1ccc(C#N)cc1NCC(=O)NCCC(C)C.
What is the InChIKey of 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is YFSVUABSCHMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)6-7-17-15(19)10-18-14-8-13(9-16)5-4-12(14)3/h4-5,8,11,18H,6-7,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide?
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 47475199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).