(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one

C24H28N2O2 — CID 134955080

IUPAC(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one
SMILESC=CC[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O2/c1-3-10-22(19(2)24(27)26-15-17-28-18-16-26)25-23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+/m1/s1
InChIKeyQMRWAUDZQTYMPF-KNQAVFIVSA-N
MW376.50 g/mol
LogP3.96
Rot. Bonds7

About (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one

(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one (PubChem CID 134955080) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one.

Molecular Properties

Compound Name(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one
PubChem CID134955080
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one
SMILESC=CC[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O2/c1-3-10-22(19(2)24(27)26-15-17-28-18-16-26)25-23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+/m1/s1
InChIKeyQMRWAUDZQTYMPF-KNQAVFIVSA-N
XLogP3.96
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one?
The IUPAC name of (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one (CID 134955080) is (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one.
What is the SMILES notation for (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one?
The canonical SMILES for (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one is C=CC[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one?
The InChIKey is QMRWAUDZQTYMPF-KNQAVFIVSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-10-22(19(2)24(27)26-15-17-28-18-16-26)25-23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h3-9,11-14,19,22H,1,10,15-18H2,2H3/t19-,22+/m1/s1.
What are the key properties of (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one?
(2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one has a molecular weight of 376.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(benzhydrylideneamino)-2-methyl-1-morpholin-4-ylhex-5-en-1-one is sourced from PubChem (CID 134955080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).