4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C24H32N2O3 — CID 8926946

IUPAC4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C24H32N2O3/c1-7-29-20-11-9-8-10-19(20)25-23(28)21(16(2)3)26-22(27)17-12-14-18(15-13-17)24(4,5)6/h8-16,21H,7H2,1-6H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyVSVUFHMRSJVTFY-NRFANRHFSA-N
MW396.53 g/mol
LogP4.78
Rot. Bonds7

About 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 8926946) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID8926946
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C24H32N2O3/c1-7-29-20-11-9-8-10-19(20)25-23(28)21(16(2)3)26-22(27)17-12-14-18(15-13-17)24(4,5)6/h8-16,21H,7H2,1-6H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyVSVUFHMRSJVTFY-NRFANRHFSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 4880570
N-[(2S)-1-[2-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8927431
N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7611534
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 7611527
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
N-[1-(2-ethoxy-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 87006168
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
4-fluoro-N-[(2S)-1-(2-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 24535614
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634723
4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
CID 30481179
methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 8926946) is 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is VSVUFHMRSJVTFY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-7-29-20-11-9-8-10-19(20)25-23(28)21(16(2)3)26-22(27)17-12-14-18(15-13-17)24(4,5)6/h8-16,21H,7H2,1-6H3,(H,25,28)(H,26,27)/t21-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 8926946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).