2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide

C21H26N2O3 — CID 113166215

IUPAC2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C21H26N2O3/c1-16(24)23(21(2,3)4)14-20(25)22-18-10-12-19(13-11-18)26-15-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,25)
InChIKeyHEGHXZSZVJELEO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds6

About 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide

2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 113166215) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID113166215
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C21H26N2O3/c1-16(24)23(21(2,3)4)14-20(25)22-18-10-12-19(13-11-18)26-15-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,25)
InChIKeyHEGHXZSZVJELEO-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 2552725
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide (CID 113166215) is 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is HEGHXZSZVJELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(24)23(21(2,3)4)14-20(25)22-18-10-12-19(13-11-18)26-15-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,22,25).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 113166215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).