2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide

C21H26N2O3 — CID 113174218

IUPAC2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-15(2)26-20-11-6-5-10-19(20)23(17(4)24)14-21(25)22-13-18-9-7-8-16(3)12-18/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyLHUVLXNODAAWNQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.45
Rot. Bonds7

About 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113174218) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113174218
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-15(2)26-20-11-6-5-10-19(20)23(17(4)24)14-21(25)22-13-18-9-7-8-16(3)12-18/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyLHUVLXNODAAWNQ-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113178005
N-(3-acetylphenyl)-2-(N-acetyl-2-propan-2-yloxyanilino)acetamide
CID 113174315
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
2-(N-acetyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167588
2-(N-acetyl-2-propan-2-yloxyanilino)-N,N-dimethylacetamide
CID 3026215
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174277
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
methyl 2-[acetyl-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131225
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 113174218) is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccccc1OC(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is LHUVLXNODAAWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)26-20-11-6-5-10-19(20)23(17(4)24)14-21(25)22-13-18-9-7-8-16(3)12-18/h5-12,15H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113174218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).