N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H23N3O3 — CID 38295305

IUPACN-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-15-4-2-5-16(12-15)13-22-19(25)14-23-21(27)17-7-9-18(10-8-17)24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyRIEXLZQZIDUEFC-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.17
Rot. Bonds6

About N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38295305) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38295305
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-15-4-2-5-16(12-15)13-22-19(25)14-23-21(27)17-7-9-18(10-8-17)24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyRIEXLZQZIDUEFC-UHFFFAOYSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[3-[[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55954128
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55957158
2-[(3-methylphenyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 119242843
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24637861
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 38295305) is N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RIEXLZQZIDUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-4-2-5-16(12-15)13-22-19(25)14-23-21(27)17-7-9-18(10-8-17)24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38295305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).