N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide

C24H25N3O2 — CID 54814231

IUPACN-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)19-8-7-9-21(16-19)26-23(28)17-25-20-14-12-18(2)13-15-20/h4-16,25H,3,17H2,1-2H3,(H,26,28)
InChIKeyFVRJEIHYRTUXCO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.71
Rot. Bonds7

About N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide

N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide (PubChem CID 54814231) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
PubChem CID54814231
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)19-8-7-9-21(16-19)26-23(28)17-25-20-14-12-18(2)13-15-20/h4-16,25H,3,17H2,1-2H3,(H,26,28)
InChIKeyFVRJEIHYRTUXCO-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-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54839033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide (CID 54814231) is N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)CNc2ccc(C)cc2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The InChIKey is FVRJEIHYRTUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-27(22-10-5-4-6-11-22)24(29)19-8-7-9-21(16-19)26-23(28)17-25-20-14-12-18(2)13-15-20/h4-16,25H,3,17H2,1-2H3,(H,26,28).
What are the key properties of N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-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 N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54814231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).