2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide

C15H21N3O — CID 47475196

IUPAC2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cc(C#N)ccc1C
InChIInChI=1S/C15H21N3O/c1-5-15(3,4)18-14(19)10-17-13-8-12(9-16)7-6-11(13)2/h6-8,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyAMUIXQPUUSXCIU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds5

About 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 47475196) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID47475196
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cc(C#N)ccc1C
InChIInChI=1S/C15H21N3O/c1-5-15(3,4)18-14(19)10-17-13-8-12(9-16)7-6-11(13)2/h6-8,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyAMUIXQPUUSXCIU-UHFFFAOYSA-N
XLogP2.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
ethyl 2-[(5-cyano-2-methylanilino)methyl]prop-2-enoate
CID 103248505
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602590

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 47475196) is 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1cc(C#N)ccc1C.
What is the InChIKey of 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is AMUIXQPUUSXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-15(3,4)18-14(19)10-17-13-8-12(9-16)7-6-11(13)2/h6-8,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.58, 5 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47475196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).