N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide

C18H16N2O3 — CID 932462

IUPACN-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)c2ccccc12
InChIInChI=1S/C18H16N2O3/c1-12-14(9-10-23-12)18(21)20-19-11-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-11H,1-2H3,(H,20,21)
InChIKeyGUIZPESJCVXKIA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.51
Rot. Bonds4

About N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 932462) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID932462
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)c2ccccc12
InChIInChI=1S/C18H16N2O3/c1-12-14(9-10-23-12)18(21)20-19-11-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-11H,1-2H3,(H,20,21)
InChIKeyGUIZPESJCVXKIA-UHFFFAOYSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
CID 847605
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
[2,6-dimethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 5412697
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
CID 5410848

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 932462) is N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide is COc1ccc(C=NNC(=O)c2ccoc2C)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is GUIZPESJCVXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-14(9-10-23-12)18(21)20-19-11-13-7-8-17(22-2)16-6-4-3-5-15(13)16/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 932462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).