3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide

C18H16N2O3 — CID 5413691

IUPAC3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-17(23-11)12(2)19-20-18(22)15-9-13-5-3-4-6-14(13)10-16(15)21/h3-10,21H,1-2H3,(H,20,22)/b19-12-
InChIKeyPLXIHRLPOBYJTH-UNOMPAQXSA-N
MW308.34 g/mol
LogP3.60
Rot. Bonds3

About 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide (PubChem CID 5413691) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
PubChem CID5413691
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-17(23-11)12(2)19-20-18(22)15-9-13-5-3-4-6-14(13)10-16(15)21/h3-10,21H,1-2H3,(H,20,22)/b19-12-
InChIKeyPLXIHRLPOBYJTH-UNOMPAQXSA-N
XLogP3.60
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
2-amino-5-[(Z)-N-[(3-hydroxynaphthalene-2-carbonyl)amino]-C-methylcarbonimidoyl]-4-methylthiophene-3-carboxamide
CID 6063694
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide (CID 5413691) is 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide is C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1.
What is the InChIKey of 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide?
The InChIKey is PLXIHRLPOBYJTH-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-8-17(23-11)12(2)19-20-18(22)15-9-13-5-3-4-6-14(13)10-16(15)21/h3-10,21H,1-2H3,(H,20,22)/b19-12-.
What are the key properties of 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5413691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).