4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

C21H26N2O3 — CID 55334963

IUPAC4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)Nc2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-26-18-12-8-16(9-13-18)20(24)23-19(14(2)3)21(25)22-17-10-6-15(4)7-11-17/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyZGLFOUGAZYOLJV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.79
Rot. Bonds7

About 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 55334963) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID55334963
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)Nc2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-26-18-12-8-16(9-13-18)20(24)23-19(14(2)3)21(25)22-17-10-6-15(4)7-11-17/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyZGLFOUGAZYOLJV-UHFFFAOYSA-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-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55587940
N-[1-(3-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 78630333
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305857
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 6915217
4-ethoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 34747353
N-[1-(1-benzothiophen-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55479251
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (CID 55334963) is 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)Nc2ccc(C)cc2)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is ZGLFOUGAZYOLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-18-12-8-16(9-13-18)20(24)23-19(14(2)3)21(25)22-17-10-6-15(4)7-11-17/h6-14,19H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[3-methyl-1-(4-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 4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55334963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).