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

C23H30N2O4 — CID 35341953

IUPAC3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-16-7-9-17(10-8-16)19(25-11-5-6-12-25)15-24-23(26)18-13-20(27-2)22(29-4)21(14-18)28-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyIRVMZUSJNOSKFO-LJQANCHMSA-N
MW398.50 g/mol
LogP3.59
Rot. Bonds8

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

3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 35341953) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID35341953
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-16-7-9-17(10-8-16)19(25-11-5-6-12-25)15-24-23(26)18-13-20(27-2)22(29-4)21(14-18)28-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyIRVMZUSJNOSKFO-LJQANCHMSA-N
XLogP3.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 7384661
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,4,5-trimethoxybenzamide
CID 7496210
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 35341953) is 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is IRVMZUSJNOSKFO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-7-9-17(10-8-16)19(25-11-5-6-12-25)15-24-23(26)18-13-20(27-2)22(29-4)21(14-18)28-3/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.59, 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-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 35341953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).