4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C22H28N2O3 — CID 9143127

IUPAC4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-3-27-20-11-10-17(14-21(20)26-2)22(25)23-15-18-8-4-5-9-19(18)16-24-12-6-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyUJBLHGVTSSWSJK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds8

About 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9143127) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID9143127
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-3-27-20-11-10-17(14-21(20)26-2)22(25)23-15-18-8-4-5-9-19(18)16-24-12-6-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyUJBLHGVTSSWSJK-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
CID 39172679
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17427270
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143639
4-ethoxy-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 55713951
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46477201
ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 9069273

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 9143127) is 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UJBLHGVTSSWSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-27-20-11-10-17(14-21(20)26-2)22(25)23-15-18-8-4-5-9-19(18)16-24-12-6-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9143127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).