N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide

C25H27N3O2 — CID 54808952

IUPACN-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-3-28(23-15-8-5-9-16-23)19-24(29)26-22-14-10-13-21(17-22)25(30)27(2)18-20-11-6-4-7-12-20/h4-17H,3,18-19H2,1-2H3,(H,26,29)
InChIKeyKMEPRRQRVHFEPO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 54808952) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
PubChem CID54808952
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c1-3-28(23-15-8-5-9-16-23)19-24(29)26-22-14-10-13-21(17-22)25(30)27(2)18-20-11-6-4-7-12-20/h4-17H,3,18-19H2,1-2H3,(H,26,29)
InChIKeyKMEPRRQRVHFEPO-UHFFFAOYSA-N
XLogP4.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide (CID 54808952) is N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide is CCN(CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is KMEPRRQRVHFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-28(23-15-8-5-9-16-23)19-24(29)26-22-14-10-13-21(17-22)25(30)27(2)18-20-11-6-4-7-12-20/h4-17H,3,18-19H2,1-2H3,(H,26,29).
What are the key properties of N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54808952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).