3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C22H28N2O3 — CID 112506440

IUPAC3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccccc2C)N2CCCC2)c1
InChIInChI=1S/C22H28N2O3/c1-16-8-4-5-9-20(16)21(24-10-6-7-11-24)15-23-22(25)17-12-18(26-2)14-19(13-17)27-3/h4-5,8-9,12-14,21H,6-7,10-11,15H2,1-3H3,(H,23,25)
InChIKeyKOICLTVYXIXXEJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.58
Rot. Bonds7

About 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 112506440) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID112506440
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccccc2C)N2CCCC2)c1
InChIInChI=1S/C22H28N2O3/c1-16-8-4-5-9-20(16)21(24-10-6-7-11-24)15-23-22(25)17-12-18(26-2)14-19(13-17)27-3/h4-5,8-9,12-14,21H,6-7,10-11,15H2,1-3H3,(H,23,25)
InChIKeyKOICLTVYXIXXEJ-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 112506440) is 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(c2ccccc2C)N2CCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is KOICLTVYXIXXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-8-4-5-9-20(16)21(24-10-6-7-11-24)15-23-22(25)17-12-18(26-2)14-19(13-17)27-3/h4-5,8-9,12-14,21H,6-7,10-11,15H2,1-3H3,(H,23,25).
What are the key properties of 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 112506440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).