N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C16H18N2O3 — CID 760412

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-20-14-7-5-13(6-8-14)10-17-18-16(19)15-9-11(2)21-12(15)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyFGGQPIAKYHBAFH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds5

About N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 760412) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID760412
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-20-14-7-5-13(6-8-14)10-17-18-16(19)15-9-11(2)21-12(15)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyFGGQPIAKYHBAFH-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
methyl 4-[(Z)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
CID 5402097
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518654
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 760412) is N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is CCOc1ccc(C=NNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FGGQPIAKYHBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-20-14-7-5-13(6-8-14)10-17-18-16(19)15-9-11(2)21-12(15)3/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 760412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).