N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide

C16H22N2O2 — CID 63286185

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
SMILESCOCCN(CCC#N)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-12-10-13(2)15(14(3)11-12)16(19)18(7-5-6-17)8-9-20-4/h10-11H,5,7-9H2,1-4H3
InChIKeyYDHMNKSAXDZQTQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide (PubChem CID 63286185) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
PubChem CID63286185
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
SMILESCOCCN(CCC#N)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-12-10-13(2)15(14(3)11-12)16(19)18(7-5-6-17)8-9-20-4/h10-11H,5,7-9H2,1-4H3
InChIKeyYDHMNKSAXDZQTQ-UHFFFAOYSA-N
XLogP2.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63287161
4-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63237164
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63284940
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
CID 51180457
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide (CID 63286185) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide is COCCN(CCC#N)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide?
The InChIKey is YDHMNKSAXDZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-13(2)15(14(3)11-12)16(19)18(7-5-6-17)8-9-20-4/h10-11H,5,7-9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 63286185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).