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

C18H21N3O2 — CID 47078032

IUPAC2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(N)=O)c1cccc(C)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(14-8-6-7-13(2)11-14)12-17(22)20-16-10-5-4-9-15(16)18(19)23/h4-11H,3,12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyUIIYQVPUFOIEHL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.56
Rot. Bonds6

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

2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide (PubChem CID 47078032) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
PubChem CID47078032
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(N)=O)c1cccc(C)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(14-8-6-7-13(2)11-14)12-17(22)20-16-10-5-4-9-15(16)18(19)23/h4-11H,3,12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyUIIYQVPUFOIEHL-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
CID 63229896
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
ethyl 3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]benzoate
CID 55916659
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide (CID 47078032) is 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide is CCN(CC(=O)Nc1ccccc1C(N)=O)c1cccc(C)c1.
What is the InChIKey of 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide?
The InChIKey is UIIYQVPUFOIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(14-8-6-7-13(2)11-14)12-17(22)20-16-10-5-4-9-15(16)18(19)23/h4-11H,3,12H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide?
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 47078032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).