N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C14H21ClN2O4 — CID 119761624

IUPACN-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-11-5-4-10(12(19-2)13(11)20-3)16-14(17)9-6-7-15-8-9;/h4-5,9,15H,6-8H2,1-3H3,(H,16,17);1H
InChIKeySBERNJJXZKAWRA-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.68
Rot. Bonds5

About N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119761624) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119761624
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC NameN-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCNC2)c(OC)c1OC.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-11-5-4-10(12(19-2)13(11)20-3)16-14(17)9-6-7-15-8-9;/h4-5,9,15H,6-8H2,1-3H3,(H,16,17);1H
InChIKeySBERNJJXZKAWRA-UHFFFAOYSA-N
XLogP1.68
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
N-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine-3-carboxamide
CID 115159376
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119761624) is N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(NC(=O)C2CCNC2)c(OC)c1OC.Cl.
What is the InChIKey of N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SBERNJJXZKAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c1-18-11-5-4-10(12(19-2)13(11)20-3)16-14(17)9-6-7-15-8-9;/h4-5,9,15H,6-8H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119761624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).