N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide

C21H27N3O2 — CID 54834432

IUPACN-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-15(3)23-21(26)17-9-11-18(12-10-17)22-13-20(25)24-19-8-6-7-14(2)16(19)4/h6-12,15,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyCPGSZNPEUCKOQF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.88
Rot. Bonds7

About N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide

N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54834432) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54834432
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-15(3)23-21(26)17-9-11-18(12-10-17)22-13-20(25)24-19-8-6-7-14(2)16(19)4/h6-12,15,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyCPGSZNPEUCKOQF-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

4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
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-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54839477
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811803
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide (CID 54834432) is N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is CPGSZNPEUCKOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-15(3)23-21(26)17-9-11-18(12-10-17)22-13-20(25)24-19-8-6-7-14(2)16(19)4/h6-12,15,22H,5,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]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-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).