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

C16H25ClN2O4 — CID 119535878

IUPAC2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCC2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)18-9-7-11-6-8-17-10-11;/h4-5,11,17H,6-10H2,1-3H3,(H,18,19);1H
InChIKeyRLDBUAHIQHRCJH-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.86
Rot. Bonds7

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

2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119535878) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119535878
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCC2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)18-9-7-11-6-8-17-10-11;/h4-5,11,17H,6-10H2,1-3H3,(H,18,19);1H
InChIKeyRLDBUAHIQHRCJH-UHFFFAOYSA-N
XLogP1.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119537060
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119535878) is 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(C(=O)NCCC2CCNC2)c(OC)c1OC.Cl.
What is the InChIKey of 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is RLDBUAHIQHRCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)18-9-7-11-6-8-17-10-11;/h4-5,11,17H,6-10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119535878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).