4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide

C24H32N2O3 — CID 8927048

IUPAC4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)Nc2c(C)cccc2C(C)C)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-7-29-19-13-11-18(12-14-19)23(27)25-21(16(4)5)24(28)26-22-17(6)9-8-10-20(22)15(2)3/h8-16,21H,7H2,1-6H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyLBJIYZOGFPHKMP-NRFANRHFSA-N
MW396.53 g/mol
LogP4.91
Rot. Bonds8

About 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 8927048) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID8927048
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)Nc2c(C)cccc2C(C)C)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-7-29-19-13-11-18(12-14-19)23(27)25-21(16(4)5)24(28)26-22-17(6)9-8-10-20(22)15(2)3/h8-16,21H,7H2,1-6H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyLBJIYZOGFPHKMP-NRFANRHFSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8008525
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
4-ethoxy-N-[(2S)-3-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]benzamide
CID 35036553
4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide
CID 55776697
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
N-[(2S)-1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55943153
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
4-bromo-N-[(2S)-1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7610593
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide (CID 8927048) is 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C(=O)Nc2c(C)cccc2C(C)C)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is LBJIYZOGFPHKMP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-7-29-19-13-11-18(12-14-19)23(27)25-21(16(4)5)24(28)26-22-17(6)9-8-10-20(22)15(2)3/h8-16,21H,7H2,1-6H3,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2S)-3-methyl-1-(2-methyl-6-propan-2-ylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 8927048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).