4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid

C24H21NO4 — CID 15837821

IUPAC4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid
SMILESCC1(C)CC=C(c2ccoc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C24H21NO4/c1-24(2)11-9-19(17-10-12-29-14-17)20-13-16(5-8-21(20)24)22(26)25-18-6-3-15(4-7-18)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGZWIQADBJIZWIV-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.34
Rot. Bonds4

About 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid

4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid (PubChem CID 15837821) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid
PubChem CID15837821
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid
SMILESCC1(C)CC=C(c2ccoc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C24H21NO4/c1-24(2)11-9-19(17-10-12-29-14-17)20-13-16(5-8-21(20)24)22(26)25-18-6-3-15(4-7-18)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGZWIQADBJIZWIV-UHFFFAOYSA-N
XLogP5.34
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

4-[(5,5-dimethyl-8-pyrimidin-5-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid
CID 15837819
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbamoyl]benzoic acid
CID 15485314
4-[(8-tert-butyl-5,5-dimethyl-6H-naphthalene-2-carbonyl)amino]benzoic acid
CID 54053642
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)carbamoylamino]benzoic acid
CID 177372379
5,5-dimethyl-N-(4-methylphenyl)-8-phenylsulfanyl-6H-naphthalene-2-carboxamide
CID 21307497
4-[1-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid
CID 70148737
4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine-7-carbonyl)amino]benzoic acid
CID 18989988
8-tert-butyl-5,5-dimethyl-6H-naphthalene-2-carboxylic acid
CID 22571551
4-[(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)carbamoyl]benzoic acid
CID 14186455
4-[[(5,5,8-trimethyl-6H-naphthalen-2-yl)amino]methyl]benzoic acid
CID 69196527
4-[(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)methylamino]-3-methylbenzoic acid
CID 69195071
3-(furan-3-yl)-4-methoxybenzoic acid
CID 63948323

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid (CID 15837821) is 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid is CC1(C)CC=C(c2ccoc2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid?
The InChIKey is GZWIQADBJIZWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-24(2)11-9-19(17-10-12-29-14-17)20-13-16(5-8-21(20)24)22(26)25-18-6-3-15(4-7-18)23(27)28/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid?
4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid has a molecular weight of 387.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(furan-3-yl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 15837821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).