N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide

C19H21N3O2 — CID 1487616

IUPACN-(benzhydrylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(15-22-11-13-24-14-12-22)20-21-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,23)
InChIKeyCYBBHOFCCHEENN-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.89
Rot. Bonds5

About N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide

N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide (PubChem CID 1487616) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-morpholin-4-ylacetamide
PubChem CID1487616
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(benzhydrylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(15-22-11-13-24-14-12-22)20-21-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,23)
InChIKeyCYBBHOFCCHEENN-UHFFFAOYSA-N
XLogP1.89
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.89
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide (CID 1487616) is N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide?
The InChIKey is CYBBHOFCCHEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(15-22-11-13-24-14-12-22)20-21-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,23).
What are the key properties of N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide?
N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide has a molecular weight of 323.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1487616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).