4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C18H19N3O2 — CID 135622319

IUPAC4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H19N3O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4,19H2,1H3,(H,21,23)/b20-15+
InChIKeyLKVDIXPTJSIJIE-HMMYKYKNSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 135622319) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID135622319
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H19N3O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4,19H2,1H3,(H,21,23)/b20-15+
InChIKeyLKVDIXPTJSIJIE-HMMYKYKNSA-N
XLogP2.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135755140
4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135577256
4-amino-N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]benzamide
CID 135735284
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
(4E)-N-cyclopentyl-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156223
1-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135689852
3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 877454
(4E)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-N-propyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155272
N-[(E)-[2-[[(4-bromobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-hydroxybenzamide
CID 19156336
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-N-(5-chloro-2-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155774
[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 135622319) is 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is Cc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is LKVDIXPTJSIJIE-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4,19H2,1H3,(H,21,23)/b20-15+.
What are the key properties of 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 135622319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).