N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

C24H27NO3 — CID 18830857

IUPACN-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H27NO3/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(26)25(17-22-10-7-15-27-22)16-19-8-5-4-6-9-19/h4-15H,16-18H2,1-3H3
InChIKeyAARNXXFYJYGOBN-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.18
Rot. Bonds7

About N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 18830857) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID18830857
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H27NO3/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(26)25(17-22-10-7-15-27-22)16-19-8-5-4-6-9-19/h4-15H,16-18H2,1-3H3
InChIKeyAARNXXFYJYGOBN-UHFFFAOYSA-N
XLogP5.18
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370
N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
CID 141107916
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 18830857) is N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AARNXXFYJYGOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(26)25(17-22-10-7-15-27-22)16-19-8-5-4-6-9-19/h4-15H,16-18H2,1-3H3.
What are the key properties of N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 377.48 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18830857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).