3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide

C14H17N3O3 — CID 114480476

IUPAC3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H17N3O3/c1-8-5-9(13(15)19)3-4-10(8)7-16-11-6-12(18)17(2)14(11)20/h3-5,11,16H,6-7H2,1-2H3,(H2,15,19)
InChIKeyFXOZRYIAXZYOMP-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.06
Rot. Bonds4

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

3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide (PubChem CID 114480476) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
PubChem CID114480476
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H17N3O3/c1-8-5-9(13(15)19)3-4-10(8)7-16-11-6-12(18)17(2)14(11)20/h3-5,11,16H,6-7H2,1-2H3,(H2,15,19)
InChIKeyFXOZRYIAXZYOMP-UHFFFAOYSA-N
XLogP-0.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide with MolForge

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Related Compounds

4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 114699422
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
CID 114503397
4-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-3-methylbenzamide
CID 114480478
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
3-methyl-4-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]benzamide
CID 114480273
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide?
The IUPAC name of 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide (CID 114480476) is 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide?
The canonical SMILES for 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide is Cc1cc(C(N)=O)ccc1CNC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide?
The InChIKey is FXOZRYIAXZYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-9(13(15)19)3-4-10(8)7-16-11-6-12(18)17(2)14(11)20/h3-5,11,16H,6-7H2,1-2H3,(H2,15,19).
What are the key properties of 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide?
3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 114480476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).