N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide

C21H21N3O2 — CID 85039379

IUPACN-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H21N3O2/c25-21(15-24-9-11-26-12-10-24)23-22-14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13-14H,9-12,15H2,(H,23,25)
InChIKeyXHXZPKSGQDRMRY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.78
Rot. Bonds4

About N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide

N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide (PubChem CID 85039379) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide
PubChem CID85039379
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H21N3O2/c25-21(15-24-9-11-26-12-10-24)23-22-14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13-14H,9-12,15H2,(H,23,25)
InChIKeyXHXZPKSGQDRMRY-UHFFFAOYSA-N
XLogP2.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide (CID 85039379) is N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NN=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide?
The InChIKey is XHXZPKSGQDRMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(15-24-9-11-26-12-10-24)23-22-14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13-14H,9-12,15H2,(H,23,25).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide?
N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide has a molecular weight of 347.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 85039379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).