N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

C17H18N2O2 — CID 2104065

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-7-6-8-13(2)16(12)19-15(20)11-18-17(21)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAETFDUHEEBYHCR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 2104065) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID2104065
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-7-6-8-13(2)16(12)19-15(20)11-18-17(21)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAETFDUHEEBYHCR-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide (CID 2104065) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is AETFDUHEEBYHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-7-6-8-13(2)16(12)19-15(20)11-18-17(21)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2104065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).