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

C21H23N3O3 — CID 134062959

IUPACN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-22-19(25)13-15-7-9-18(10-8-15)23-21(27)17-5-2-4-16(12-17)14-24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyZMBFDPUCAPEWRI-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.35
Rot. Bonds6

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

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 134062959) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID134062959
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-22-19(25)13-15-7-9-18(10-8-15)23-21(27)17-5-2-4-16(12-17)14-24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyZMBFDPUCAPEWRI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
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CID 9032159
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
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N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55414254
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 134062959) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZMBFDPUCAPEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-22-19(25)13-15-7-9-18(10-8-15)23-21(27)17-5-2-4-16(12-17)14-24-11-3-6-20(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-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 134062959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).