3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C16H25ClN2O4 — CID 119690622

IUPAC3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-16(5-6-17-10-16)15(19)18-9-11-7-13(21-3)14(22-4)8-12(11)20-2;/h7-8,17H,5-6,9-10H2,1-4H3,(H,18,19);1H
InChIKeyKQFJIJCEALCARX-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.75
Rot. Bonds6

About 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119690622) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119690622
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-16(5-6-17-10-16)15(19)18-9-11-7-13(21-3)14(22-4)8-12(11)20-2;/h7-8,17H,5-6,9-10H2,1-4H3,(H,18,19);1H
InChIKeyKQFJIJCEALCARX-UHFFFAOYSA-N
XLogP1.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 119943959
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119690622) is 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KQFJIJCEALCARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-16(5-6-17-10-16)15(19)18-9-11-7-13(21-3)14(22-4)8-12(11)20-2;/h7-8,17H,5-6,9-10H2,1-4H3,(H,18,19);1H.
What are the key properties of 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119690622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).