4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide

C24H24N2O3 — CID 1191314

IUPAC4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C
InChIInChI=1S/C24H24N2O3/c1-17-7-6-10-22(18(17)2)26-24(28)20-11-13-21(14-12-20)29-16-23(27)25-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMNJQVNZAPZMEDA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.25
Rot. Bonds7

About 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide

4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide (PubChem CID 1191314) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide
PubChem CID1191314
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C
InChIInChI=1S/C24H24N2O3/c1-17-7-6-10-22(18(17)2)26-24(28)20-11-13-21(14-12-20)29-16-23(27)25-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMNJQVNZAPZMEDA-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide (CID 1191314) is 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1C.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is MNJQVNZAPZMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-7-6-10-22(18(17)2)26-24(28)20-11-13-21(14-12-20)29-16-23(27)25-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide?
4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethoxy]-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 1191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).