4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid

C22H25NO4 — CID 14235014

IUPAC4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(O)cc21
InChIInChI=1S/C22H25NO4/c1-21(2)9-10-22(3,4)17-12-18(24)15(11-16(17)21)19(25)23-14-7-5-13(6-8-14)20(26)27/h5-8,11-12,24H,9-10H2,1-4H3,(H,23,25)(H,26,27)
InChIKeyMUSCBHDFKOCNHM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.69
Rot. Bonds3

About 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid

4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid (PubChem CID 14235014) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
PubChem CID14235014
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(O)cc21
InChIInChI=1S/C22H25NO4/c1-21(2)9-10-22(3,4)17-12-18(24)15(11-16(17)21)19(25)23-14-7-5-13(6-8-14)20(26)27/h5-8,11-12,24H,9-10H2,1-4H3,(H,23,25)(H,26,27)
InChIKeyMUSCBHDFKOCNHM-UHFFFAOYSA-N
XLogP4.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)carbamoyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
CID 66548679
4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
CID 6440834
4-[[2,2-difluoro-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
CID 23075279
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
4-[(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)carbamoyl]benzoic acid
CID 14186455
4-[[2-nitroso-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
CID 54250425
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
3-oxo-3-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]propanoic acid
CID 24946634
4-[(5,5,8,8-tetramethyl-3,4,6,7-tetrahydronaphthalene-2-carbonyl)amino]benzoic acid
CID 70289258
4-[2-oxo-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid
CID 175350568
4-[[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexadec-2-enoyl]amino]benzoic acid
CID 70216590
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
CID 45272516

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid (CID 14235014) is 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(O)cc21.
What is the InChIKey of 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
The InChIKey is MUSCBHDFKOCNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-21(2)9-10-22(3,4)17-12-18(24)15(11-16(17)21)19(25)23-14-7-5-13(6-8-14)20(26)27/h5-8,11-12,24H,9-10H2,1-4H3,(H,23,25)(H,26,27).
What are the key properties of 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid?
4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid has a molecular weight of 367.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 14235014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).