1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O4 — CID 119533531

IUPAC1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)c(OC)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-15-3-4-16(17(10-15)26-2)22-12-14(9-18(22)23)19(24)21-8-6-13-5-7-20-11-13;/h3-4,10,13-14,20H,5-9,11-12H2,1-2H3,(H,21,24);1H
InChIKeyRPXFVKPWQNIXON-UHFFFAOYSA-N
MW397.90 g/mol
LogP1.59
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119533531) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119533531
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)c(OC)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-15-3-4-16(17(10-15)26-2)22-12-14(9-18(22)23)19(24)21-8-6-13-5-7-20-11-13;/h3-4,10,13-14,20H,5-9,11-12H2,1-2H3,(H,21,24);1H
InChIKeyRPXFVKPWQNIXON-UHFFFAOYSA-N
XLogP1.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119556384
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119444947
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
(3R)-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9351564
1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17187446
methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 9317880
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351420
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119533531) is 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(N2CC(C(=O)NCCC3CCNC3)CC2=O)c(OC)c1.Cl.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RPXFVKPWQNIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.ClH/c1-25-15-3-4-16(17(10-15)26-2)22-12-14(9-18(22)23)19(24)21-8-6-13-5-7-20-11-13;/h3-4,10,13-14,20H,5-9,11-12H2,1-2H3,(H,21,24);1H.
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119533531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).