5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride

C20H24ClN3O3 — CID 120636021

IUPAC5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-14-7-8-15(21)11-18(14)20(25)22-16-12-19(24)23(13-16)9-10-26-17-5-3-2-4-6-17;/h2-8,11,16H,9-10,12-13,21H2,1H3,(H,22,25);1H
InChIKeyLTULXSJVJMCBRK-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.41
Rot. Bonds6

About 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride

5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 120636021) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID120636021
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-14-7-8-15(21)11-18(14)20(25)22-16-12-19(24)23(13-16)9-10-26-17-5-3-2-4-6-17;/h2-8,11,16H,9-10,12-13,21H2,1H3,(H,22,25);1H
InChIKeyLTULXSJVJMCBRK-UHFFFAOYSA-N
XLogP2.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
(2R)-2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 119334873
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 120501604
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119334859
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
CID 119803358
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
CID 146077438
ethyl N-[(2S)-3-methyl-1-oxo-1-[[(3R)-5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]amino]butan-2-yl]carbamate
CID 96509307
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119803364
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119803338
2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 91761715

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride (CID 120636021) is 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is LTULXSJVJMCBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-14-7-8-15(21)11-18(14)20(25)22-16-12-19(24)23(13-16)9-10-26-17-5-3-2-4-6-17;/h2-8,11,16H,9-10,12-13,21H2,1H3,(H,22,25);1H.
What are the key properties of 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 120636021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).