2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide

C21H26N2O3 — CID 113173405

IUPAC2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-15(24)23(18-7-6-8-19(13-18)26-5)14-20(25)22-17-11-9-16(10-12-17)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyPAZXMKDPHXCTTM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.98
Rot. Bonds5

About 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide

2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 113173405) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
PubChem CID113173405
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-15(24)23(18-7-6-8-19(13-18)26-5)14-20(25)22-17-11-9-16(10-12-17)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyPAZXMKDPHXCTTM-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
methyl 3-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176312
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide (CID 113173405) is 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide is COc1cccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is PAZXMKDPHXCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(24)23(18-7-6-8-19(13-18)26-5)14-20(25)22-17-11-9-16(10-12-17)21(2,3)4/h6-13H,14H2,1-5H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide?
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 113173405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).