N-(2-acetamidoethyl)-4-methylbenzamide

C12H16N2O2 — CID 4186573

IUPACN-(2-acetamidoethyl)-4-methylbenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)12(16)14-8-7-13-10(2)15/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOOCVWPJULBZQSA-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.86
Rot. Bonds4

About N-(2-acetamidoethyl)-4-methylbenzamide

N-(2-acetamidoethyl)-4-methylbenzamide (PubChem CID 4186573) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-methylbenzamide
PubChem CID4186573
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-acetamidoethyl)-4-methylbenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)12(16)14-8-7-13-10(2)15/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOOCVWPJULBZQSA-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[2-(cyanoamino)ethyl]-4-methylbenzamide
CID 62481255
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 121062212
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-methylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-methylbenzamide (CID 4186573) is N-(2-acetamidoethyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-methylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-methylbenzamide is CC(=O)NCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-methylbenzamide?
The InChIKey is OOCVWPJULBZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)12(16)14-8-7-13-10(2)15/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-acetamidoethyl)-4-methylbenzamide?
N-(2-acetamidoethyl)-4-methylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-methylbenzamide is sourced from PubChem (CID 4186573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).