N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C21H23N3O3 — CID 86931987

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-23(2)13-16-4-3-5-18(12-16)22-21(27)17-8-6-15(7-9-17)14-24-19(25)10-11-20(24)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyHRBQCFBLSZCPHG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.65
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 86931987) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID86931987
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-23(2)13-16-4-3-5-18(12-16)22-21(27)17-8-6-15(7-9-17)14-24-19(25)10-11-20(24)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyHRBQCFBLSZCPHG-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.65
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

4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 86932107
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55893148
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39277380
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
ethyl 1-[3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]pyrazole-3-carboxylate
CID 39015339

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 86931987) is N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CN(C)Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HRBQCFBLSZCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(2)13-16-4-3-5-18(12-16)22-21(27)17-8-6-15(7-9-17)14-24-19(25)10-11-20(24)26/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 86931987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).