4-formyl-N,N,3-trimethylbenzamide

C11H13NO2 — CID 131310713

IUPAC4-formyl-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C=O
InChIInChI=1S/C11H13NO2/c1-8-6-9(11(14)12(2)3)4-5-10(8)7-13/h4-7H,1-3H3
InChIKeyVDOITRKIZVNZFE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.51
Rot. Bonds2

About 4-formyl-N,N,3-trimethylbenzamide

4-formyl-N,N,3-trimethylbenzamide (PubChem CID 131310713) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-formyl-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-formyl-N,N,3-trimethylbenzamide
PubChem CID131310713
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-formyl-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C=O
InChIInChI=1S/C11H13NO2/c1-8-6-9(11(14)12(2)3)4-5-10(8)7-13/h4-7H,1-3H3
InChIKeyVDOITRKIZVNZFE-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-formyl-N,N,3-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-m-toluamide
CID 4284
2-Methyl-N,N-diethylbenzamide
CID 75945
N,N-Dimethylbenzamide
CID 11916
Benzamide, N,N,3-trimethyl-
CID 81351
4,N,N-Trimethylbenzamide
CID 84179
1-(3,4-Dimethylbenzoyl)-4-methylpiperidine
CID 789001
N-methoxy-N-methylnaphthalene-1-carboxamide
CID 22892021
3,4-Dimethylbenzamide
CID 21755
4-formyl-N-methylbenzamide
CID 10487212
7-Methylisoquinolin-1(2H)-one
CID 15693876
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 2953373

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N,N,3-trimethylbenzamide?
The IUPAC name of 4-formyl-N,N,3-trimethylbenzamide (CID 131310713) is 4-formyl-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-formyl-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-formyl-N,N,3-trimethylbenzamide is Cc1cc(C(=O)N(C)C)ccc1C=O.
What is the InChIKey of 4-formyl-N,N,3-trimethylbenzamide?
The InChIKey is VDOITRKIZVNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-6-9(11(14)12(2)3)4-5-10(8)7-13/h4-7H,1-3H3.
What are the key properties of 4-formyl-N,N,3-trimethylbenzamide?
4-formyl-N,N,3-trimethylbenzamide has a molecular weight of 191.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N,N,3-trimethylbenzamide is sourced from PubChem (CID 131310713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).