N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide

C21H27N3O2 — CID 54844261

IUPACN-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1C
InChIInChI=1S/C21H27N3O2/c1-14-8-6-11-18(15(14)2)23-19(25)13-22-17-10-7-9-16(12-17)20(26)24-21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyJKUNATZHROSHJE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.88
Rot. Bonds5

About N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide

N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54844261) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54844261
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1C
InChIInChI=1S/C21H27N3O2/c1-14-8-6-11-18(15(14)2)23-19(25)13-22-17-10-7-9-16(12-17)20(26)24-21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyJKUNATZHROSHJE-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide (CID 54844261) is N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide is Cc1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1C.
What is the InChIKey of N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is JKUNATZHROSHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-8-6-11-18(15(14)2)23-19(25)13-22-17-10-7-9-16(12-17)20(26)24-21(3,4)5/h6-12,22H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).