N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide

C24H24N2O3 — CID 9253155

IUPACN-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccc(C)c(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-12-18(2)22(13-17)26-23(27)16-29-21-10-6-9-20(14-21)24(28)25-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJKPJSALEMIPDTC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.25
Rot. Bonds7

About N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide (PubChem CID 9253155) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
PubChem CID9253155
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccc(C)c(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-17-11-12-18(2)22(13-17)26-23(27)16-29-21-10-6-9-20(14-21)24(28)25-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJKPJSALEMIPDTC-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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Related Compounds

N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
(E)-N-benzyl-2-cyano-3-[3-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126276088
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 17455733
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide (CID 9253155) is N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide is Cc1ccc(C)c(NC(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide?
The InChIKey is JKPJSALEMIPDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-11-12-18(2)22(13-17)26-23(27)16-29-21-10-6-9-20(14-21)24(28)25-15-19-7-4-3-5-8-19/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]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 N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 9253155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).