N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide

C18H18N2O2 — CID 144974001

IUPACN-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C=C\C(\C=N\NC(=O)c1cc2ccccc2cc1O)=C/C
InChIInChI=1S/C18H18N2O2/c1-3-7-13(4-2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h3-12,21H,1-2H3,(H,20,22)/b7-3-,13-4+,19-12+
InChIKeyFTDHPGBOHCKJMS-VNPAGRGZSA-N
MW294.35 g/mol
LogP3.78
Rot. Bonds4

About N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 144974001) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID144974001
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
SMILESC/C=C\C(\C=N\NC(=O)c1cc2ccccc2cc1O)=C/C
InChIInChI=1S/C18H18N2O2/c1-3-7-13(4-2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h3-12,21H,1-2H3,(H,20,22)/b7-3-,13-4+,19-12+
InChIKeyFTDHPGBOHCKJMS-VNPAGRGZSA-N
XLogP3.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(E)-2-methylidenehexylideneamino]naphthalene-2-carboxamide
CID 6906295
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-hydroxy-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6902774
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide (CID 144974001) is N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide is C/C=C\C(\C=N\NC(=O)c1cc2ccccc2cc1O)=C/C.
What is the InChIKey of N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is FTDHPGBOHCKJMS-VNPAGRGZSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-7-13(4-2)12-19-20-18(22)16-10-14-8-5-6-9-15(14)11-17(16)21/h3-12,21H,1-2H3,(H,20,22)/b7-3-,13-4+,19-12+.
What are the key properties of N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 144974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).