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

C22H28N2O3 — CID 113059114

IUPACN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-17(25)24(19-12-10-18(11-13-19)22(2,3)4)15-14-23-21(26)16-27-20-8-6-5-7-9-20/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyZOXRCKSXSAVRRT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.53
Rot. Bonds7

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

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113059114) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113059114
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-17(25)24(19-12-10-18(11-13-19)22(2,3)4)15-14-23-21(26)16-27-20-8-6-5-7-9-20/h5-13H,14-16H2,1-4H3,(H,23,26)
InChIKeyZOXRCKSXSAVRRT-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide (CID 113059114) is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide is CC(=O)N(CCNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is ZOXRCKSXSAVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(25)24(19-12-10-18(11-13-19)22(2,3)4)15-14-23-21(26)16-27-20-8-6-5-7-9-20/h5-13H,14-16H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113059114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).