5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

C20H23N3O3 — CID 120621130

IUPAC5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-8-15(21)11-18(14)20(25)22-16-5-4-6-17(12-16)26-13-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13,21H2,1H3,(H,22,25)
InChIKeyNHLFOYZGWSAQRU-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.83
Rot. Bonds5

About 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (PubChem CID 120621130) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
PubChem CID120621130
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-8-15(21)11-18(14)20(25)22-16-5-4-6-17(12-16)26-13-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13,21H2,1H3,(H,22,25)
InChIKeyNHLFOYZGWSAQRU-UHFFFAOYSA-N
XLogP2.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.83
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

5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 34802754
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 120622526
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 46436775

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (CID 120621130) is 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is NHLFOYZGWSAQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-8-15(21)11-18(14)20(25)22-16-5-4-6-17(12-16)26-13-19(24)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13,21H2,1H3,(H,22,25).
What are the key properties of 5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.83, 5 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-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 120621130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).