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

C20H23N3O2 — CID 3784892

IUPACN-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23N3O2/c1-16(23-12-14-25-15-13-23)20(24)22-21-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,24)
InChIKeyCUUAFAOLFAIQJQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.28
Rot. Bonds5

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

N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide (PubChem CID 3784892) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide
PubChem CID3784892
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23N3O2/c1-16(23-12-14-25-15-13-23)20(24)22-21-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,24)
InChIKeyCUUAFAOLFAIQJQ-UHFFFAOYSA-N
XLogP2.28
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.28
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-ylpropanamide?
The IUPAC name of N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide (CID 3784892) is N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide is CC(C(=O)NN=C(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide?
The InChIKey is CUUAFAOLFAIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16(23-12-14-25-15-13-23)20(24)22-21-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,24).
What are the key properties of N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide?
N-(benzhydrylideneamino)-2-morpholin-4-ylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 2.28, 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-ylpropanamide is sourced from PubChem (CID 3784892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).