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

C22H29N3O2 — CID 54819409

IUPACN-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2c(C)cccc2CC)cc1
InChIInChI=1S/C22H29N3O2/c1-4-6-14-23-22(27)18-10-12-19(13-11-18)25-20(26)15-24-21-16(3)8-7-9-17(21)5-2/h7-13,24H,4-6,14-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyKIHWFTWDRYQWBJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds9

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

N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide (PubChem CID 54819409) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
PubChem CID54819409
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2c(C)cccc2CC)cc1
InChIInChI=1S/C22H29N3O2/c1-4-6-14-23-22(27)18-10-12-19(13-11-18)25-20(26)15-24-21-16(3)8-7-9-17(21)5-2/h7-13,24H,4-6,14-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyKIHWFTWDRYQWBJ-UHFFFAOYSA-N
XLogP4.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
CID 33004733
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide (CID 54819409) is N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2c(C)cccc2CC)cc1.
What is the InChIKey of N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide?
The InChIKey is KIHWFTWDRYQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-6-14-23-22(27)18-10-12-19(13-11-18)25-20(26)15-24-21-16(3)8-7-9-17(21)5-2/h7-13,24H,4-6,14-15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide?
N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54819409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).