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

C16H25ClN2O4 — CID 119803301

IUPACN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN(C(=O)C1CCNC1)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-9-8-18(16(19)12-6-7-17-11-12)13-4-5-14(21-2)15(10-13)22-3;/h4-5,10,12,17H,6-9,11H2,1-3H3;1H
InChIKeyLQJSOTQRNDVWTA-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.71
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119803301) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119803301
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN(C(=O)C1CCNC1)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-9-8-18(16(19)12-6-7-17-11-12)13-4-5-14(21-2)15(10-13)22-3;/h4-5,10,12,17H,6-9,11H2,1-3H3;1H
InChIKeyLQJSOTQRNDVWTA-UHFFFAOYSA-N
XLogP1.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119803301) is N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride is COCCN(C(=O)C1CCNC1)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LQJSOTQRNDVWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-9-8-18(16(19)12-6-7-17-11-12)13-4-5-14(21-2)15(10-13)22-3;/h4-5,10,12,17H,6-9,11H2,1-3H3;1H.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119803301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).