N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide

C20H24N2O3 — CID 91813629

IUPACN-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-11-12-22(14-18)17-9-7-15(8-10-17)20(23)21-13-16-5-3-4-6-19(16)25-2/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyAFIZBIHVXGPTDX-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.85
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide

N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide (PubChem CID 91813629) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
PubChem CID91813629
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-18-11-12-22(14-18)17-9-7-15(8-10-17)20(23)21-13-16-5-3-4-6-19(16)25-2/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyAFIZBIHVXGPTDX-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
4-[4-[(2-methoxyphenyl)methylamino]piperidin-1-yl]benzoic acid
CID 166226852
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide (CID 91813629) is N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide is COc1ccccc1CNC(=O)c1ccc(N2CCC(OC)C2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide?
The InChIKey is AFIZBIHVXGPTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-11-12-22(14-18)17-9-7-15(8-10-17)20(23)21-13-16-5-3-4-6-19(16)25-2/h3-10,18H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 91813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).