N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide

C17H20N2O4 — CID 94833642

IUPACN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C17H20N2O4/c1-3-9-22-14-8-7-13(11-16(14)21-4-2)12-18-19-17(20)15-6-5-10-23-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)/b18-12+
InChIKeyCJJNJKBHGGBPDO-LDADJPATSA-N
MW316.36 g/mol
LogP3.23
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 94833642) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID94833642
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C17H20N2O4/c1-3-9-22-14-8-7-13(11-16(14)21-4-2)12-18-19-17(20)15-6-5-10-23-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)/b18-12+
InChIKeyCJJNJKBHGGBPDO-LDADJPATSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.23
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'}

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Related Compounds

N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 137035489
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide (CID 94833642) is N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1OCC.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is CJJNJKBHGGBPDO-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-9-22-14-8-7-13(11-16(14)21-4-2)12-18-19-17(20)15-6-5-10-23-15/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 94833642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).