2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide

C23H30N2O3 — CID 113164883

IUPAC2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccccc2C(C)(C)C)C(C)=O)cc1
InChIInChI=1S/C23H30N2O3/c1-17(26)25(15-14-18-10-12-19(28-5)13-11-18)16-22(27)24-21-9-7-6-8-20(21)23(2,3)4/h6-13H,14-16H2,1-5H3,(H,24,27)
InChIKeyXUZFSPPMVOAQPX-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.02
Rot. Bonds7

About 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide

2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide (PubChem CID 113164883) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide
PubChem CID113164883
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccccc2C(C)(C)C)C(C)=O)cc1
InChIInChI=1S/C23H30N2O3/c1-17(26)25(15-14-18-10-12-19(28-5)13-11-18)16-22(27)24-21-9-7-6-8-20(21)23(2,3)4/h6-13H,14-16H2,1-5H3,(H,24,27)
InChIKeyXUZFSPPMVOAQPX-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
2-[acetyl(3-phenylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113165897
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 113166008
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide (CID 113164883) is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide is COc1ccc(CCN(CC(=O)Nc2ccccc2C(C)(C)C)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide?
The InChIKey is XUZFSPPMVOAQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(26)25(15-14-18-10-12-19(28-5)13-11-18)16-22(27)24-21-9-7-6-8-20(21)23(2,3)4/h6-13H,14-16H2,1-5H3,(H,24,27).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide?
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 113164883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).