N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

C22H29N3O2 — CID 54811803

IUPACN-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-17(5)24-22(27)18-7-9-19(10-8-18)25-20(26)13-23-21-15(3)11-14(2)12-16(21)4/h7-12,17,23H,6,13H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyCOYKFBMBXNTIAG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.19
Rot. Bonds7

About N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (PubChem CID 54811803) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
PubChem CID54811803
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-17(5)24-22(27)18-7-9-19(10-8-18)25-20(26)13-23-21-15(3)11-14(2)12-16(21)4/h7-12,17,23H,6,13H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyCOYKFBMBXNTIAG-UHFFFAOYSA-N
XLogP4.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-4-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 54818355
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (CID 54811803) is N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The InChIKey is COYKFBMBXNTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-17(5)24-22(27)18-7-9-19(10-8-18)25-20(26)13-23-21-15(3)11-14(2)12-16(21)4/h7-12,17,23H,6,13H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54811803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).