N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide

C19H20N2O2 — CID 4838886

IUPACN-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
SMILESCc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(O)cc1)CCC2
InChIInChI=1S/C19H20N2O2/c1-12-10-13(2)16-4-3-5-18(17(16)11-12)20-21-19(23)14-6-8-15(22)9-7-14/h6-11,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyLEEHSIOGMZXADS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds2

About N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide

N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide (PubChem CID 4838886) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
PubChem CID4838886
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
SMILESCc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(O)cc1)CCC2
InChIInChI=1S/C19H20N2O2/c1-12-10-13(2)16-4-3-5-18(17(16)11-12)20-21-19(23)14-6-8-15(22)9-7-14/h6-11,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyLEEHSIOGMZXADS-UHFFFAOYSA-N
XLogP3.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea
CID 6523658
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3976015
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
(4-methylphenyl) (4E)-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19156364
(4E)-N-cyclopentyl-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156223
N-[(E)-[2-[[(4-bromobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-hydroxybenzamide
CID 19156336
4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135755140
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135622319
(4E)-N-(2,4-difluorophenyl)-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156372
3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 877454

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide?
The IUPAC name of N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide (CID 4838886) is N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide?
The canonical SMILES for N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide is Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(O)cc1)CCC2.
What is the InChIKey of N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide?
The InChIKey is LEEHSIOGMZXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-10-13(2)16-4-3-5-18(17(16)11-12)20-21-19(23)14-6-8-15(22)9-7-14/h6-11,22H,3-5H2,1-2H3,(H,21,23).
What are the key properties of N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide?
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide is sourced from PubChem (CID 4838886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).