2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide

C18H21N3O3 — CID 6023915

IUPAC2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(19-20-18(22)17-7-10-24-14(17)2)15-3-5-16(6-4-15)21-8-11-23-12-9-21/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,22)/b19-13-
InChIKeyMQHLNGJGSPLUBU-UYRXBGFRSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide (PubChem CID 6023915) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide
PubChem CID6023915
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(19-20-18(22)17-7-10-24-14(17)2)15-3-5-16(6-4-15)21-8-11-23-12-9-21/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,22)/b19-13-
InChIKeyMQHLNGJGSPLUBU-UYRXBGFRSA-N
XLogP2.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide (CID 6023915) is 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide?
The InChIKey is MQHLNGJGSPLUBU-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(19-20-18(22)17-7-10-24-14(17)2)15-3-5-16(6-4-15)21-8-11-23-12-9-21/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,22)/b19-13-.
What are the key properties of 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6023915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).