N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide

C17H14N2O3 — CID 135549682

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11-13(8-9-22-11)17(21)19-18-10-15-14-5-3-2-4-12(14)6-7-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKeyMOZULBXKFAYUIT-VCHYOVAHSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135549682) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135549682
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O3/c1-11-13(8-9-22-11)17(21)19-18-10-15-14-5-3-2-4-12(14)6-7-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKeyMOZULBXKFAYUIT-VCHYOVAHSA-N
XLogP3.21
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6878689
2,5-dimethyl-N-[(E)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 6880356
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135508993
3-hydroxy-N'-[(5-methyl-2-furyl)methylene]-2-naphthohydrazide
CID 6868231
N'-[(E)-[4-(Benzyloxy)phenyl]methylidene]-2-methylfuran-3-carbohydrazide
CID 9557075
Nsc-205497
CID 135491081
2-methyl-N'-[(1E)-1-(naphthalen-1-yl)ethylidene]furan-3-carbohydrazide
CID 5402903
N'-[(E)-[4-(Benzyloxy)phenyl]methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 9557076
N-[(E)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 9609847
N'-[(Z)-(2-Hydroxyphenyl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135900947
N-[(Z)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136198641
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136934866

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 135549682) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is MOZULBXKFAYUIT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-13(8-9-22-11)17(21)19-18-10-15-14-5-3-2-4-12(14)6-7-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135549682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).