N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide

C17H26N2O4 — CID 2870046

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-5-19-8-6-7-13(19)11-18-17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-10,13H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyOEXSEGXGNCSJRP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.93
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 2870046) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID2870046
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-5-19-8-6-7-13(19)11-18-17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-10,13H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyOEXSEGXGNCSJRP-UHFFFAOYSA-N
XLogP1.93
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 2870046) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide is CCN1CCCC1CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is OEXSEGXGNCSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-19-8-6-7-13(19)11-18-17(20)12-9-14(21-2)16(23-4)15(10-12)22-3/h9-10,13H,5-8,11H2,1-4H3,(H,18,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2870046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).