N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C18H28ClN3O5 — CID 120826862

IUPACN-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C18H27N3O5.ClH/c1-11(19-2)9-20-18(23)12-6-16(22)21(10-12)13-7-14(24-3)17(26-5)15(8-13)25-4;/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,23);1H
InChIKeyWTUGNOIXXFGNJE-UHFFFAOYSA-N
MW401.89 g/mol
LogP1.21
Rot. Bonds8

About N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120826862) has the molecular formula C18H28ClN3O5 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120826862
Molecular FormulaC18H28ClN3O5
Molecular Weight401.89 g/mol
Exact Mass401.17
IUPAC NameN-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C18H27N3O5.ClH/c1-11(19-2)9-20-18(23)12-6-16(22)21(10-12)13-7-14(24-3)17(26-5)15(8-13)25-4;/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,23);1H
InChIKeyWTUGNOIXXFGNJE-UHFFFAOYSA-N
XLogP1.21
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120832737
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120947786

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120826862) is N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WTUGNOIXXFGNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5.ClH/c1-11(19-2)9-20-18(23)12-6-16(22)21(10-12)13-7-14(24-3)17(26-5)15(8-13)25-4;/h7-8,11-12,19H,6,9-10H2,1-5H3,(H,20,23);1H.
What are the key properties of N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).