N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride

C17H24ClN3O4 — CID 119341782

IUPACN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CCCN3)C2=O)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-23-12-8-11(9-13(10-12)24-2)20-7-5-15(17(20)22)19-16(21)14-4-3-6-18-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,19,21);1H
InChIKeyQGZXVNUDVGTRAJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP1.10
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119341782) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119341782
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CCCN3)C2=O)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-23-12-8-11(9-13(10-12)24-2)20-7-5-15(17(20)22)19-16(21)14-4-3-6-18-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,19,21);1H
InChIKeyQGZXVNUDVGTRAJ-UHFFFAOYSA-N
XLogP1.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 119341765
(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
N-[(3S)-1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]cycloheptene-1-carboxamide
CID 99698621
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119341782) is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride is COc1cc(OC)cc(N2CCC(NC(=O)C3CCCN3)C2=O)c1.Cl.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QGZXVNUDVGTRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4.ClH/c1-23-12-8-11(9-13(10-12)24-2)20-7-5-15(17(20)22)19-16(21)14-4-3-6-18-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119341782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).