N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide

C15H16N2O4 — CID 760187

IUPACN-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-10(16-17-15(18)13-5-4-8-21-13)11-6-7-12(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyNQJPFGYHYGWONO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 760187) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID760187
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-10(16-17-15(18)13-5-4-8-21-13)11-6-7-12(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyNQJPFGYHYGWONO-UHFFFAOYSA-N
XLogP2.45
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide (CID 760187) is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide is COc1ccc(C(C)=NNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is NQJPFGYHYGWONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(16-17-15(18)13-5-4-8-21-13)11-6-7-12(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 760187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).