N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C17H27ClN2O4 — CID 119537060

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCC2CCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-8-13(9-15(22-2)17(14)23-3)10-16(20)19-7-5-12-4-6-18-11-12;/h8-9,12,18H,4-7,10-11H2,1-3H3,(H,19,20);1H
InChIKeyYVYPVEBMSNPHFG-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.79
Rot. Bonds8

About N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119537060) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID119537060
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCC2CCNC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-8-13(9-15(22-2)17(14)23-3)10-16(20)19-7-5-12-4-6-18-11-12;/h8-9,12,18H,4-7,10-11H2,1-3H3,(H,19,20);1H
InChIKeyYVYPVEBMSNPHFG-UHFFFAOYSA-N
XLogP1.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 119537060) is N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is COc1cc(CC(=O)NCCC2CCNC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is YVYPVEBMSNPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-21-14-8-13(9-15(22-2)17(14)23-3)10-16(20)19-7-5-12-4-6-18-11-12;/h8-9,12,18H,4-7,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119537060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).