4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide

C19H23N3O2 — CID 33004733

IUPAC4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-7-5-6-13(2)18(14)21-12-17(23)22-16-10-8-15(9-11-16)19(24)20-3/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyHLDORKSNEHJZPD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds6

About 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide

4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 33004733) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
PubChem CID33004733
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-7-5-6-13(2)18(14)21-12-17(23)22-16-10-8-15(9-11-16)19(24)20-3/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyHLDORKSNEHJZPD-UHFFFAOYSA-N
XLogP2.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
CID 54819409
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 26527454

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide (CID 33004733) is 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide is CCc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is HLDORKSNEHJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14-7-5-6-13(2)18(14)21-12-17(23)22-16-10-8-15(9-11-16)19(24)20-3/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide?
4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 33004733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).