formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol

C22H33NO6 — CID 143340424

IUPACformaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
SMILESC=O.CC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1.CO.CO
InChIInChI=1S/C19H23NO3.2CH4O.CH2O/c1-11(2)17-10-16(6-7-18(17)22)23-19-12(3)8-15(9-13(19)4)20-14(5)21;3*1-2/h6-11,22H,1-5H3,(H,20,21);2*2H,1H3;1H2
InChIKeyPVAFTKJJFFETGS-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.92
Rot. Bonds4

About formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol

formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol (PubChem CID 143340424) has the molecular formula C22H33NO6 and a molecular weight of 407.51 g/mol. Its IUPAC name is formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol.

Molecular Properties

Compound Nameformaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
PubChem CID143340424
Molecular FormulaC22H33NO6
Molecular Weight407.51 g/mol
Exact Mass407.23
IUPAC Nameformaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
SMILESC=O.CC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1.CO.CO
InChIInChI=1S/C19H23NO3.2CH4O.CH2O/c1-11(2)17-10-16(6-7-18(17)22)23-19-12(3)8-15(9-13(19)4)20-14(5)21;3*1-2/h6-11,22H,1-5H3,(H,20,21);2*2H,1H3;1H2
InChIKeyPVAFTKJJFFETGS-UHFFFAOYSA-N
XLogP3.92
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
CID 142200728
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
CID 142200753
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
CID 142200847
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]prop-2-ene-1-sulfinamide
CID 142200717
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol?
The IUPAC name of formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol (CID 143340424) is formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol.
What is the SMILES notation for formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol?
The canonical SMILES for formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol is C=O.CC(=O)Nc1cc(C)c(Oc2ccc(O)c(C(C)C)c2)c(C)c1.CO.CO.
What is the InChIKey of formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol?
The InChIKey is PVAFTKJJFFETGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.2CH4O.CH2O/c1-11(2)17-10-16(6-7-18(17)22)23-19-12(3)8-15(9-13(19)4)20-14(5)21;3*1-2/h6-11,22H,1-5H3,(H,20,21);2*2H,1H3;1H2.
What are the key properties of formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol?
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol has a molecular weight of 407.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol is sourced from PubChem (CID 143340424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).