N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide

C23H29NO2 — CID 101424780

IUPACN-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
SMILESCc1cc(C)c(CC(=O)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)c(C)c1
InChIInChI=1S/C23H29NO2/c1-14(2)18(6)24-23(26)20-9-7-19(8-10-20)22(25)13-21-16(4)11-15(3)12-17(21)5/h7-12,14,18H,13H2,1-6H3,(H,24,26)/t18-/m0/s1
InChIKeyQPKLIZPFYRLADX-SFHVURJKSA-N
MW351.49 g/mol
LogP4.81
Rot. Bonds6

About N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide

N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide (PubChem CID 101424780) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
PubChem CID101424780
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
SMILESCc1cc(C)c(CC(=O)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)c(C)c1
InChIInChI=1S/C23H29NO2/c1-14(2)18(6)24-23(26)20-9-7-19(8-10-20)22(25)13-21-16(4)11-15(3)12-17(21)5/h7-12,14,18H,13H2,1-6H3,(H,24,26)/t18-/m0/s1
InChIKeyQPKLIZPFYRLADX-SFHVURJKSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966101
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide (CID 101424780) is N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide is Cc1cc(C)c(CC(=O)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide?
The InChIKey is QPKLIZPFYRLADX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29NO2/c1-14(2)18(6)24-23(26)20-9-7-19(8-10-20)22(25)13-21-16(4)11-15(3)12-17(21)5/h7-12,14,18H,13H2,1-6H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide?
N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide is sourced from PubChem (CID 101424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).