N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide

C22H26N2O4 — CID 2634723

IUPACN-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C22H26N2O4/c1-5-28-19-9-7-6-8-18(19)21(26)24-20(14(2)3)22(27)23-17-12-10-16(11-13-17)15(4)25/h6-14,20H,5H2,1-4H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyOLXNGLWYSSIPMC-FQEVSTJZSA-N
MW382.46 g/mol
LogP3.68
Rot. Bonds8

About N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide

N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide (PubChem CID 2634723) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
PubChem CID2634723
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C)=O)cc1)C(C)C
InChIInChI=1S/C22H26N2O4/c1-5-28-19-9-7-6-8-18(19)21(26)24-20(14(2)3)22(27)23-17-12-10-16(11-13-17)15(4)25/h6-14,20H,5H2,1-4H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyOLXNGLWYSSIPMC-FQEVSTJZSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159
N-[(2S)-1-(4-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2555538
2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 24635375
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]benzamide
CID 2415620
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7992387
N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659
2-ethoxy-N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 2712984
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide (CID 2634723) is N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C(C)=O)cc1)C(C)C.
What is the InChIKey of N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide?
The InChIKey is OLXNGLWYSSIPMC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-28-19-9-7-6-8-18(19)21(26)24-20(14(2)3)22(27)23-17-12-10-16(11-13-17)15(4)25/h6-14,20H,5H2,1-4H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide?
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 2634723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).