2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide

C21H26N2O3 — CID 2599057

IUPAC2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C)C(C)C
InChIInChI=1S/C21H26N2O3/c1-5-26-18-13-9-7-11-16(18)20(24)23-19(14(2)3)21(25)22-17-12-8-6-10-15(17)4/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyZROZZDGSKCDGLP-IBGZPJMESA-N
MW354.45 g/mol
LogP3.79
Rot. Bonds7

About 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide

2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 2599057) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID2599057
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C)C(C)C
InChIInChI=1S/C21H26N2O3/c1-5-26-18-13-9-7-11-16(18)20(24)23-19(14(2)3)21(25)22-17-12-8-6-10-15(17)4/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyZROZZDGSKCDGLP-IBGZPJMESA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159
2-ethoxy-N-[(2S)-3-methyl-1-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 32551764
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659
N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7611534
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634723
2-ethoxy-N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 2712984
2-ethoxy-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9224516
methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904
N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
N-[(2S)-1-(4-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2555538
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 4796988
N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 4880570

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (CID 2599057) is 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C)C(C)C.
What is the InChIKey of 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is ZROZZDGSKCDGLP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-18-13-9-7-11-16(18)20(24)23-19(14(2)3)21(25)22-17-12-8-6-10-15(17)4/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2599057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).