N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C22H23N3O4 — CID 39277380

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-15(26)24(2)14-18-5-3-4-6-19(18)23-22(29)17-9-7-16(8-10-17)13-25-20(27)11-12-21(25)28/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKeyOYLRKGZHOIUCPB-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.57
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 39277380) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID39277380
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-15(26)24(2)14-18-5-3-4-6-19(18)23-22(29)17-9-7-16(8-10-17)13-25-20(27)11-12-21(25)28/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKeyOYLRKGZHOIUCPB-UHFFFAOYSA-N
XLogP2.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-phenoxybenzamide
CID 39278128
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614333
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
CID 53135720
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-6-methylpyridine-2-carboxamide
CID 39277115
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
N-(1-benzothiophen-3-ylmethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-methylbenzamide
CID 86990645
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 39277380) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is OYLRKGZHOIUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(26)24(2)14-18-5-3-4-6-19(18)23-22(29)17-9-7-16(8-10-17)13-25-20(27)11-12-21(25)28/h3-10H,11-14H2,1-2H3,(H,23,29).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 39277380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).