N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide

C21H27N3O2 — CID 54813452

IUPACN-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-16(4)23-21(26)17-7-6-8-18(12-17)24-20(25)13-22-19-10-14(2)9-15(3)11-19/h6-12,16,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQMJRYDYQECRGDG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.88
Rot. Bonds7

About N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide

N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide (PubChem CID 54813452) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
PubChem CID54813452
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27N3O2/c1-5-16(4)23-21(26)17-7-6-8-18(12-17)24-20(25)13-22-19-10-14(2)9-15(3)11-19/h6-12,16,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQMJRYDYQECRGDG-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide (CID 54813452) is N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide?
The InChIKey is QMJRYDYQECRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16(4)23-21(26)17-7-6-8-18(12-17)24-20(25)13-22-19-10-14(2)9-15(3)11-19/h6-12,16,22H,5,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide?
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.88, 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-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54813452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).