2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

C23H31NO5 — CID 55709625

IUPAC2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H31NO5/c1-7-15(2)18-10-8-9-11-19(18)29-14-22(25)24-16(3)17-12-20(26-4)23(28-6)21(13-17)27-5/h8-13,15-16H,7,14H2,1-6H3,(H,24,25)
InChIKeyCTNRXUYOPMUMRF-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.48
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide (PubChem CID 55709625) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
PubChem CID55709625
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H31NO5/c1-7-15(2)18-10-8-9-11-19(18)29-14-22(25)24-16(3)17-12-20(26-4)23(28-6)21(13-17)27-5/h8-13,15-16H,7,14H2,1-6H3,(H,24,25)
InChIKeyCTNRXUYOPMUMRF-UHFFFAOYSA-N
XLogP4.48
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide (CID 55709625) is 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide is CCC(C)c1ccccc1OCC(=O)NC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is CTNRXUYOPMUMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-7-15(2)18-10-8-9-11-19(18)29-14-22(25)24-16(3)17-12-20(26-4)23(28-6)21(13-17)27-5/h8-13,15-16H,7,14H2,1-6H3,(H,24,25).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 401.50 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55709625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).