2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H26N2O2 — CID 113167564

IUPAC2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)19-11-7-9-16(4)21(19)22-20(25)13-23(17(5)24)18-10-6-8-15(3)12-18/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyKOTAUUIQVCHTLI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds5

About 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113167564) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113167564
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)19-11-7-9-16(4)21(19)22-20(25)13-23(17(5)24)18-10-6-8-15(3)12-18/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyKOTAUUIQVCHTLI-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113180931
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179490
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179624
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
2-(N-(3-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 38262849
2-(N-acetyl-2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113173778

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113167564) is 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is KOTAUUIQVCHTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)19-11-7-9-16(4)21(19)22-20(25)13-23(17(5)24)18-10-6-8-15(3)12-18/h6-12,14H,13H2,1-5H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113167564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).