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

C23H30N2O5 — CID 17014577

IUPAC3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C23H30N2O5/c1-27-18-9-7-16(8-10-18)19(25-11-5-6-12-25)15-24-23(26)17-13-20(28-2)22(30-4)21(14-17)29-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26)
InChIKeyKQLPXAYMEXBHPU-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.29
Rot. Bonds9

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

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 17014577) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID17014577
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C23H30N2O5/c1-27-18-9-7-16(8-10-18)19(25-11-5-6-12-25)15-24-23(26)17-13-20(28-2)22(30-4)21(14-17)29-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26)
InChIKeyKQLPXAYMEXBHPU-UHFFFAOYSA-N
XLogP3.29
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 7384661
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770964
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 17014577) is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is KQLPXAYMEXBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-27-18-9-7-16(8-10-18)19(25-11-5-6-12-25)15-24-23(26)17-13-20(28-2)22(30-4)21(14-17)29-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 17014577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).