5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C27H29NO3 — CID 59597244

IUPAC5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2ccc(O)cc2)C(=O)C2CCCc3c(O)cccc32)cc1
InChIInChI=1S/C27H29NO3/c1-18(2)20-11-13-21(14-12-20)28(17-19-9-15-22(29)16-10-19)27(31)25-7-3-6-24-23(25)5-4-8-26(24)30/h4-5,8-16,18,25,29-30H,3,6-7,17H2,1-2H3
InChIKeyMWGFRVNKTYTEKS-UHFFFAOYSA-N
MW415.53 g/mol
LogP5.87
Rot. Bonds5

About 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597244) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597244
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2ccc(O)cc2)C(=O)C2CCCc3c(O)cccc32)cc1
InChIInChI=1S/C27H29NO3/c1-18(2)20-11-13-21(14-12-20)28(17-19-9-15-22(29)16-10-19)27(31)25-7-3-6-24-23(25)5-4-8-26(24)30/h4-5,8-16,18,25,29-30H,3,6-7,17H2,1-2H3
InChIKeyMWGFRVNKTYTEKS-UHFFFAOYSA-N
XLogP5.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-5-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124453
N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10182818
4-[(N-(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)-4-propan-2-ylanilino)methyl]benzoic acid
CID 59597335
N-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10136763
5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 16678566
N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10162195
(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 11538982
5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597274
N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597315
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 67183274
5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane
CID 161413944
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 5311121

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597244) is 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2ccc(O)cc2)C(=O)C2CCCc3c(O)cccc32)cc1.
What is the InChIKey of 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is MWGFRVNKTYTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO3/c1-18(2)20-11-13-21(14-12-20)28(17-19-9-15-22(29)16-10-19)27(31)25-7-3-6-24-23(25)5-4-8-26(24)30/h4-5,8-16,18,25,29-30H,3,6-7,17H2,1-2H3.
What are the key properties of 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).