N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide

C22H25NO5 — CID 142200847

IUPACN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(=O)O2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H25NO5/c1-12(2)17-11-16(5-6-18(17)24)27-21-13(3)9-15(10-14(21)4)23-22(26)19-7-8-20(25)28-19/h5-6,9-12,19,24H,7-8H2,1-4H3,(H,23,26)
InChIKeyPVKRWBAOEJBYAE-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.57
Rot. Bonds5

About N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide (PubChem CID 142200847) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
PubChem CID142200847
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCC(=O)O2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H25NO5/c1-12(2)17-11-16(5-6-18(17)24)27-21-13(3)9-15(10-14(21)4)23-22(26)19-7-8-20(25)28-19/h5-6,9-12,19,24H,7-8H2,1-4H3,(H,23,26)
InChIKeyPVKRWBAOEJBYAE-UHFFFAOYSA-N
XLogP4.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
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
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
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135486150

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide (CID 142200847) is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide is Cc1cc(NC(=O)C2CCC(=O)O2)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide?
The InChIKey is PVKRWBAOEJBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-12(2)17-11-16(5-6-18(17)24)27-21-13(3)9-15(10-14(21)4)23-22(26)19-7-8-20(25)28-19/h5-6,9-12,19,24H,7-8H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide?
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 142200847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).