N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide

C16H22N2O — CID 22075936

IUPACN-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCC(CC#N)NC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-5-14(6-7-17)18-16(19)10-15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyNWRVTMVPIWJRQM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.96
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide

N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 22075936) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID22075936
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCC(CC#N)NC(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O/c1-5-14(6-7-17)18-16(19)10-15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyNWRVTMVPIWJRQM-UHFFFAOYSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
2-(3-aminophenyl)-N-(1-cyanobutan-2-yl)acetamide
CID 65349834
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
5-bromo-N-(1-cyanobutan-2-yl)-2-methylbenzamide
CID 65308104
3-chloro-N-(1-cyanobutan-2-yl)-4-methylbenzamide
CID 63195232
N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
CID 62647253
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide (CID 22075936) is N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide is CCC(CC#N)NC(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NWRVTMVPIWJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-14(6-7-17)18-16(19)10-15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-6,10H2,1-4H3,(H,18,19).
What are the key properties of N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 22075936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).