N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C28H31NO3 — CID 142200803

IUPACN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc(NC(=O)C2CCc3ccccc3C2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C28H31NO3/c1-17(2)25-16-24(11-12-26(25)30)32-27-18(3)13-23(14-19(27)4)29-28(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-8,11-14,16-17,22,30H,9-10,15H2,1-4H3,(H,29,31)
InChIKeyZXISRFVVGCJUDW-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.67
Rot. Bonds5

About N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 142200803) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID142200803
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1cc(NC(=O)C2CCc3ccccc3C2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C28H31NO3/c1-17(2)25-16-24(11-12-26(25)30)32-27-18(3)13-23(14-19(27)4)29-28(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-8,11-14,16-17,22,30H,9-10,15H2,1-4H3,(H,29,31)
InChIKeyZXISRFVVGCJUDW-UHFFFAOYSA-N
XLogP6.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
CID 142200847
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
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]morpholine-4-carboxamide
CID 142200788
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]prop-2-ene-1-sulfinamide
CID 142200717
N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
2-[3-bromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylphenyl]acetic acid
CID 18415138

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 142200803) is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cc1cc(NC(=O)C2CCc3ccccc3C2)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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZXISRFVVGCJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3/c1-17(2)25-16-24(11-12-26(25)30)32-27-18(3)13-23(14-19(27)4)29-28(31)22-10-9-20-7-5-6-8-21(20)15-22/h5-8,11-14,16-17,22,30H,9-10,15H2,1-4H3,(H,29,31).
What are the key properties of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 142200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).