4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride

C20H24ClN3O4 — CID 119341784

IUPAC4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccc(CN)cc3)C2=O)c1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-16-9-15(10-17(11-16)27-2)23-8-7-18(20(23)25)22-19(24)14-5-3-13(12-21)4-6-14;/h3-6,9-11,18H,7-8,12,21H2,1-2H3,(H,22,24);1H
InChIKeyZQXBZWOTPLVANU-UHFFFAOYSA-N
MW405.88 g/mol
LogP2.12
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 119341784) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID119341784
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccc(CN)cc3)C2=O)c1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-16-9-15(10-17(11-16)27-2)23-8-7-18(20(23)25)22-19(24)14-5-3-13(12-21)4-6-14;/h3-6,9-11,18H,7-8,12,21H2,1-2H3,(H,22,24);1H
InChIKeyZQXBZWOTPLVANU-UHFFFAOYSA-N
XLogP2.12
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
N-[(3S)-1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]cycloheptene-1-carboxamide
CID 99698621
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120637990
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119341793
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride (CID 119341784) is 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride is COc1cc(OC)cc(N2CCC(NC(=O)c3ccc(CN)cc3)C2=O)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is ZQXBZWOTPLVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c1-26-16-9-15(10-17(11-16)27-2)23-8-7-18(20(23)25)22-19(24)14-5-3-13(12-21)4-6-14;/h3-6,9-11,18H,7-8,12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 119341784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).