N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide

C15H20N2O4 — CID 51089527

IUPACN-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-6-15(2,9-16)17-14(18)10-7-11(19-3)13(21-5)12(8-10)20-4/h7-8H,6H2,1-5H3,(H,17,18)
InChIKeyCTLCWCZLEISMBX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.13
Rot. Bonds6

About N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide

N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 51089527) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID51089527
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-6-15(2,9-16)17-14(18)10-7-11(19-3)13(21-5)12(8-10)20-4/h7-8H,6H2,1-5H3,(H,17,18)
InChIKeyCTLCWCZLEISMBX-UHFFFAOYSA-N
XLogP2.13
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(3S)-3-methylpent-1-yn-3-yl]benzamide
CID 709973
N-(2-cyanobutan-2-yl)-4-methoxy-3-nitrobenzamide
CID 61119589
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
N-(1-bromo-2-methylpropan-2-yl)-3,4,5-trimethoxybenzamide
CID 114307867
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
CID 61119027
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800
N-(1-cyanopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 62090267
3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
CID 110601722

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide (CID 51089527) is N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide is CCC(C)(C#N)NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is CTLCWCZLEISMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-6-15(2,9-16)17-14(18)10-7-11(19-3)13(21-5)12(8-10)20-4/h7-8H,6H2,1-5H3,(H,17,18).
What are the key properties of N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide?
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 51089527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).