N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

C22H23NO3 — CID 20604815

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H23NO3/c1-22(2,3)16-9-10-20(26-4)18(13-16)23-21(25)17-11-14-7-5-6-8-15(14)12-19(17)24/h5-13,24H,1-4H3,(H,23,25)
InChIKeyBCCDBRFODVWOPV-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.10
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 20604815) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID20604815
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C22H23NO3/c1-22(2,3)16-9-10-20(26-4)18(13-16)23-21(25)17-11-14-7-5-6-8-15(14)12-19(17)24/h5-13,24H,1-4H3,(H,23,25)
InChIKeyBCCDBRFODVWOPV-UHFFFAOYSA-N
XLogP5.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(4-methylsulfanylphenyl)naphthalene-2-carboxamide
CID 161170935
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
CID 90477654
CID 90477654
N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide
CID 11740094
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
CID 134008779
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 44721323
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
CID 158102212
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (CID 20604815) is N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is BCCDBRFODVWOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-22(2,3)16-9-10-20(26-4)18(13-16)23-21(25)17-11-14-7-5-6-8-15(14)12-19(17)24/h5-13,24H,1-4H3,(H,23,25).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 20604815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).