3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C18H22N4O3 — CID 75532942

IUPAC3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(=N\Cc1cccc(C(=O)NCc2ccco2)c1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c19-18(22-6-9-24-10-7-22)21-12-14-3-1-4-15(11-14)17(23)20-13-16-5-2-8-25-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,21)(H,20,23)
InChIKeyNXJCPAZAZRNASI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.36
Rot. Bonds5

About 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 75532942) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID75532942
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(=N\Cc1cccc(C(=O)NCc2ccco2)c1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c19-18(22-6-9-24-10-7-22)21-12-14-3-1-4-15(11-14)17(23)20-13-16-5-2-8-25-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,21)(H,20,23)
InChIKeyNXJCPAZAZRNASI-UHFFFAOYSA-N
XLogP1.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111058452
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100464
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
CID 134033244
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
N-(furan-2-ylmethyl)-3-[(2-morpholin-4-yl-2-oxoethyl)amino]benzamide
CID 54834688
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-ethyl-3-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110937719
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111325086
3-[[[ethylamino-(2-methoxyethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110939930
3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 109417016
N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834364

Frequently Asked Questions

What is the IUPAC name of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 75532942) is 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide is N/C(=N\Cc1cccc(C(=O)NCc2ccco2)c1)N1CCOCC1.
What is the InChIKey of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is NXJCPAZAZRNASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-18(22-6-9-24-10-7-22)21-12-14-3-1-4-15(11-14)17(23)20-13-16-5-2-8-25-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,21)(H,20,23).
What are the key properties of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 75532942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).