N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C21H21N3O3 — CID 126072075

IUPACN-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O3/c1-15-12-18(24-8-10-26-11-9-24)7-6-17(15)14-22-23-21(25)20-13-16-4-2-3-5-19(16)27-20/h2-7,12-14H,8-11H2,1H3,(H,23,25)/b22-14+
InChIKeyIWOVCPABTYFAFL-HYARGMPZSA-N
MW363.42 g/mol
LogP3.34
Rot. Bonds4

About N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 126072075) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID126072075
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O3/c1-15-12-18(24-8-10-26-11-9-24)7-6-17(15)14-22-23-21(25)20-13-16-4-2-3-5-19(16)27-20/h2-7,12-14H,8-11H2,1H3,(H,23,25)/b22-14+
InChIKeyIWOVCPABTYFAFL-HYARGMPZSA-N
XLogP3.34
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.34
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-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 126103952
2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126114950
5-bromo-7-iodo-N-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5227780
2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126109238
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
N-[(Z)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170558
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
1-(2-methyl-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126071092
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 126072075) is N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is IWOVCPABTYFAFL-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-12-18(24-8-10-26-11-9-24)7-6-17(15)14-22-23-21(25)20-13-16-4-2-3-5-19(16)27-20/h2-7,12-14H,8-11H2,1H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126072075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).