2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

C23H29NO4 — CID 4957983

IUPAC2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-23(2,3)17-6-10-19(11-7-17)28-16-22(25)24-18-8-12-20(13-9-18)27-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyPZFAQTAJUAVMBC-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 4957983) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID4957983
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-23(2,3)17-6-10-19(11-7-17)28-16-22(25)24-18-8-12-20(13-9-18)27-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyPZFAQTAJUAVMBC-UHFFFAOYSA-N
XLogP4.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 4957983) is 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is PZFAQTAJUAVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-23(2,3)17-6-10-19(11-7-17)28-16-22(25)24-18-8-12-20(13-9-18)27-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 4957983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).