3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

C24H25N3O2 — CID 60537383

IUPAC3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCCN(C(=O)CNc1cc(C(=O)Nc2ccccc2)ccc1C)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(21-12-8-5-9-13-21)23(28)17-25-22-16-19(15-14-18(22)2)24(29)26-20-10-6-4-7-11-20/h4-16,25H,3,17H2,1-2H3,(H,26,29)
InChIKeyYTKUYJYPBGZMGK-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.71
Rot. Bonds7

About 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 60537383) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID60537383
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCCN(C(=O)CNc1cc(C(=O)Nc2ccccc2)ccc1C)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(21-12-8-5-9-13-21)23(28)17-25-22-16-19(15-14-18(22)2)24(29)26-20-10-6-4-7-11-20/h4-16,25H,3,17H2,1-2H3,(H,26,29)
InChIKeyYTKUYJYPBGZMGK-UHFFFAOYSA-N
XLogP4.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703646
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54844457
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
CID 34067816
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54832356
2-(2-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 109007773
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (CID 60537383) is 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is CCN(C(=O)CNc1cc(C(=O)Nc2ccccc2)ccc1C)c1ccccc1.
What is the InChIKey of 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is YTKUYJYPBGZMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-27(21-12-8-5-9-13-21)23(28)17-25-22-16-19(15-14-18(22)2)24(29)26-20-10-6-4-7-11-20/h4-16,25H,3,17H2,1-2H3,(H,26,29).
What are the key properties of 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 387.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 60537383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).