3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide

C26H30N2O4 — CID 41453918

IUPAC3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O4/c1-30-23-15-19(16-24(31-2)25(23)32-3)26(29)27-17-22(28-13-6-7-14-28)21-12-8-10-18-9-4-5-11-20(18)21/h4-5,8-12,15-16,22H,6-7,13-14,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyLMIHTFDGDVSHSW-JOCHJYFZSA-N
MW434.54 g/mol
LogP4.43
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide

3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 41453918) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID41453918
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O4/c1-30-23-15-19(16-24(31-2)25(23)32-3)26(29)27-17-22(28-13-6-7-14-28)21-12-8-10-18-9-4-5-11-20(18)21/h4-5,8-12,15-16,22H,6-7,13-14,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyLMIHTFDGDVSHSW-JOCHJYFZSA-N
XLogP4.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
CID 16813221
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide (CID 41453918) is 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide is COc1cc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is LMIHTFDGDVSHSW-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-30-23-15-19(16-24(31-2)25(23)32-3)26(29)27-17-22(28-13-6-7-14-28)21-12-8-10-18-9-4-5-11-20(18)21/h4-5,8-12,15-16,22H,6-7,13-14,17H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide?
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 41453918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).