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

C21H27N3O2 — CID 54844457

IUPACN-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)CNc1cccc(C(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)19(25)15-22-17-11-9-10-16(14-17)20(26)23-21(2,3)4/h6-14,22H,5,15H2,1-4H3,(H,23,26)
InChIKeyKHCXEPAVIYYXQI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.68
Rot. Bonds6

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

N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54844457) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54844457
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)CNc1cccc(C(=O)NC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)19(25)15-22-17-11-9-10-16(14-17)20(26)23-21(2,3)4/h6-14,22H,5,15H2,1-4H3,(H,23,26)
InChIKeyKHCXEPAVIYYXQI-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
3-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838774
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537383
2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
CID 54829924
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide (CID 54844457) is N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is CCN(C(=O)CNc1cccc(C(=O)NC(C)(C)C)c1)c1ccccc1.
What is the InChIKey of N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is KHCXEPAVIYYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)19(25)15-22-17-11-9-10-16(14-17)20(26)23-21(2,3)4/h6-14,22H,5,15H2,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).