3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

C20H24N2O3 — CID 30493384

IUPAC3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1OC
InChIInChI=1S/C20H24N2O3/c1-3-25-19-14-15(10-11-18(19)24-2)20(23)21-16-8-4-5-9-17(16)22-12-6-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyJRHVQVHOPBGQFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.95
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 30493384) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID30493384
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1OC
InChIInChI=1S/C20H24N2O3/c1-3-25-19-14-15(10-11-18(19)24-2)20(23)21-16-8-4-5-9-17(16)22-12-6-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyJRHVQVHOPBGQFB-UHFFFAOYSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 35355595
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 30493384) is 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is JRHVQVHOPBGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-19-14-15(10-11-18(19)24-2)20(23)21-16-8-4-5-9-17(16)22-12-6-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 30493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).