2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide

C22H28N2O2 — CID 113170587

IUPAC2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)16-21(26)23-15-14-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyWNNYIAYSBVKJRV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds6

About 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide

2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 113170587) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
PubChem CID113170587
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)16-21(26)23-15-14-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyWNNYIAYSBVKJRV-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 113170550
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide (CID 113170587) is 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide is CC(=O)N(CC(=O)NCCc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is WNNYIAYSBVKJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)16-21(26)23-15-14-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide?
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113170587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).