N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide

C22H28N2O2 — CID 113059109

IUPACN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)15-14-23-21(26)16-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyJHCGUBLGGUBBFM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide (PubChem CID 113059109) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
PubChem CID113059109
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)15-14-23-21(26)16-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyJHCGUBLGGUBBFM-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

N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide (CID 113059109) is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide?
The InChIKey is JHCGUBLGGUBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(25)24(20-12-10-19(11-13-20)22(2,3)4)15-14-23-21(26)16-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide?
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide 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 N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113059109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).