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N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide

C24H30N2O5 — CID 102288821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)N(C(=O)c1ccccc1)N1CCC[C@H]1COC
InChIInChI=1S/C24H30N2O5/c1-17(19-14-21(29-3)23(31-5)22(15-19)30-4)26(24(27)18-10-7-6-8-11-18)25-13-9-12-20(25)16-28-2/h6-8,10-11,14-15,20H,1,9,12-13,16H2,2-5H3/t20-/m0/s1
InChIKeyIPGLIBGJFMDJBS-FQEVSTJZSA-N
MW426.51 g/mol
LogP3.85
Rot. Bonds9

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide (PubChem CID 102288821) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
PubChem CID102288821
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)N(C(=O)c1ccccc1)N1CCC[C@H]1COC
InChIInChI=1S/C24H30N2O5/c1-17(19-14-21(29-3)23(31-5)22(15-19)30-4)26(24(27)18-10-7-6-8-11-18)25-13-9-12-20(25)16-28-2/h6-8,10-11,14-15,20H,1,9,12-13,16H2,2-5H3/t20-/m0/s1
InChIKeyIPGLIBGJFMDJBS-FQEVSTJZSA-N
XLogP3.85
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide (CID 102288821) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide is C=C(c1cc(OC)c(OC)c(OC)c1)N(C(=O)c1ccccc1)N1CCC[C@H]1COC.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide?
The InChIKey is IPGLIBGJFMDJBS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-17(19-14-21(29-3)23(31-5)22(15-19)30-4)26(24(27)18-10-7-6-8-11-18)25-13-9-12-20(25)16-28-2/h6-8,10-11,14-15,20H,1,9,12-13,16H2,2-5H3/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 102288821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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