N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide

C15H20N2O4 — CID 47861546

IUPACN-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(C(=O)N(C)CC(C)C#N)cc1OC
InChIInChI=1S/C15H20N2O4/c1-10(8-16)9-17(2)15(18)11-6-13(20-4)14(21-5)7-12(11)19-3/h6-7,10H,9H2,1-5H3
InChIKeyDLIPIRSLQDVIDK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.94
Rot. Bonds6

About N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide

N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide (PubChem CID 47861546) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
PubChem CID47861546
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)c(C(=O)N(C)CC(C)C#N)cc1OC
InChIInChI=1S/C15H20N2O4/c1-10(8-16)9-17(2)15(18)11-6-13(20-4)14(21-5)7-12(11)19-3/h6-7,10H,9H2,1-5H3
InChIKeyDLIPIRSLQDVIDK-UHFFFAOYSA-N
XLogP1.94
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
2-methyl-3-[methyl-(2,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 119228595
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide (CID 47861546) is N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide is COc1cc(OC)c(C(=O)N(C)CC(C)C#N)cc1OC.
What is the InChIKey of N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is DLIPIRSLQDVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(8-16)9-17(2)15(18)11-6-13(20-4)14(21-5)7-12(11)19-3/h6-7,10H,9H2,1-5H3.
What are the key properties of N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide?
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 47861546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).