3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C16H25ClN2O4 — CID 2947321

IUPAC3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCN2CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-6-9-18-7-4-5-8-18;/h10-11H,4-9H2,1-3H3,(H,17,19);1H
InChIKeyVWXSHDFWAUAHOK-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.96
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 2947321) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID2947321
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCN2CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-6-9-18-7-4-5-8-18;/h10-11H,4-9H2,1-3H3,(H,17,19);1H
InChIKeyVWXSHDFWAUAHOK-UHFFFAOYSA-N
XLogP1.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 2947321) is 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is COc1cc(C(=O)NCCN2CCCC2)cc(OC)c1OC.Cl.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is VWXSHDFWAUAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-6-9-18-7-4-5-8-18;/h10-11H,4-9H2,1-3H3,(H,17,19);1H.
What are the key properties of 3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.96, 7 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-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 2947321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).