3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide

C20H21N3O4 — CID 136524635

IUPAC3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)NC2CCN(c3ccccc3)C2=O)c1
InChIInChI=1S/C20H21N3O4/c1-27-16-9-5-6-14(12-16)19(25)21-13-18(24)22-17-10-11-23(20(17)26)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyKKIHHJHQXREVQJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.35
Rot. Bonds6

About 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide

3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide (PubChem CID 136524635) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
PubChem CID136524635
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)NC2CCN(c3ccccc3)C2=O)c1
InChIInChI=1S/C20H21N3O4/c1-27-16-9-5-6-14(12-16)19(25)21-13-18(24)22-17-10-11-23(20(17)26)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyKKIHHJHQXREVQJ-UHFFFAOYSA-N
XLogP1.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 134813179
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide (CID 136524635) is 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide is COc1cccc(C(=O)NCC(=O)NC2CCN(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide?
The InChIKey is KKIHHJHQXREVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-16-9-5-6-14(12-16)19(25)21-13-18(24)22-17-10-11-23(20(17)26)15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide?
3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 136524635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).