2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide

C15H22N2O4 — CID 107422597

IUPAC2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCNC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-15(7-8-16-9-15)17-14(18)10-5-6-11(19-2)13(21-4)12(10)20-3/h5-6,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyDUKZBCMIDIEWNL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.19
Rot. Bonds5

About 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide

2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide (PubChem CID 107422597) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
PubChem CID107422597
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2(C)CCNC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-15(7-8-16-9-15)17-14(18)10-5-6-11(19-2)13(21-4)12(10)20-3/h5-6,16H,7-9H2,1-4H3,(H,17,18)
InChIKeyDUKZBCMIDIEWNL-UHFFFAOYSA-N
XLogP1.19
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-methoxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696306
2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide
CID 114696408
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
CID 106826594
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
3,5-dimethoxy-4-methyl-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567388
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide (CID 107422597) is 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide is COc1ccc(C(=O)NC2(C)CCNC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide?
The InChIKey is DUKZBCMIDIEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(7-8-16-9-15)17-14(18)10-5-6-11(19-2)13(21-4)12(10)20-3/h5-6,16H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide?
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).