N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

C20H24N4O3 — CID 6881453

IUPACN-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C20H24N4O3/c25-19(21-9-4-10-24-11-13-27-14-12-24)20(26)23-22-15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,15H,4,9-14H2,(H,21,25)(H,23,26)/b22-15+
InChIKeyWTZYSGJZRRMURF-PXLXIMEGSA-N
MW368.44 g/mol
LogP1.13
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide

N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (PubChem CID 6881453) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
PubChem CID6881453
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C20H24N4O3/c25-19(21-9-4-10-24-11-13-27-14-12-24)20(26)23-22-15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,15H,4,9-14H2,(H,21,25)(H,23,26)/b22-15+
InChIKeyWTZYSGJZRRMURF-PXLXIMEGSA-N
XLogP1.13
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide (CID 6881453) is N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc2ccccc12.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
The InChIKey is WTZYSGJZRRMURF-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(21-9-4-10-24-11-13-27-14-12-24)20(26)23-22-15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,15H,4,9-14H2,(H,21,25)(H,23,26)/b22-15+.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide?
N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide has a molecular weight of 368.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide is sourced from PubChem (CID 6881453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).