acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

C88H100Br4N8O14 — CID 162189973

IUPACacetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.CC(=O)NN.CC(=O)NNC(=O)CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCC(=O)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O
InChIInChI=1S/C23H26BrN3O4.C21H22BrNO4.C21H24BrNO3.C21H22BrNO2.C2H6N2O/c1-16(18-8-10-20(24)11-9-18)27-15-14-23(31-22(27)30,19-6-4-3-5-7-19)13-12-21(29)26-25-17(2)28;1-15(16-7-9-18(22)10-8-16)23-14-13-21(27-20(23)26,12-11-19(24)25)17-5-3-2-4-6-17;1-16(17-8-10-19(22)11-9-17)23-14-13-21(12-5-15-24,26-20(23)25)18-6-3-2-4-7-18;1-3-13-21(18-7-5-4-6-8-18)14-15-23(20(24)25-21)16(2)17-9-11-19(22)12-10-17;1-2(5)4-3/h3-11,16H,12-15H2,1-2H3,(H,25,28)(H,26,29);2-10,15H,11-14H2,1H3,(H,24,25);2-4,6-11,16,24H,5,12-15H2,1H3;3-12,16H,1,13-15H2,2H3;3H2,1H3,(H,4,5)/t16-,23+;15-,21+;2*16-,21+;/m0000./s1
InChIKeyZQDZCEASRURVPT-SZHGTAJASA-N
MW1813.43 g/mol
LogP19.15
Rot. Bonds23

About acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 162189973) has the molecular formula C88H100Br4N8O14 and a molecular weight of 1813.43 g/mol. Its IUPAC name is acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Nameacetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID162189973
Molecular FormulaC88H100Br4N8O14
Molecular Weight1813.43 g/mol
Exact Mass1808.41
IUPAC Nameacetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.CC(=O)NN.CC(=O)NNC(=O)CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCC(=O)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O
InChIInChI=1S/C23H26BrN3O4.C21H22BrNO4.C21H24BrNO3.C21H22BrNO2.C2H6N2O/c1-16(18-8-10-20(24)11-9-18)27-15-14-23(31-22(27)30,19-6-4-3-5-7-19)13-12-21(29)26-25-17(2)28;1-15(16-7-9-18(22)10-8-16)23-14-13-21(27-20(23)26,12-11-19(24)25)17-5-3-2-4-6-17;1-16(17-8-10-19(22)11-9-17)23-14-13-21(12-5-15-24,26-20(23)25)18-6-3-2-4-7-18;1-3-13-21(18-7-5-4-6-8-18)14-15-23(20(24)25-21)16(2)17-9-11-19(22)12-10-17;1-2(5)4-3/h3-11,16H,12-15H2,1-2H3,(H,25,28)(H,26,29);2-10,15H,11-14H2,1H3,(H,24,25);2-4,6-11,16,24H,5,12-15H2,1H3;3-12,16H,1,13-15H2,2H3;3H2,1H3,(H,4,5)/t16-,23+;15-,21+;2*16-,21+;/m0000./s1
InChIKeyZQDZCEASRURVPT-SZHGTAJASA-N
XLogP19.15
TPSA289.01 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001813.43
LogP ≤ 519.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (CID 162189973) is acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.CC(=O)NN.CC(=O)NNC(=O)CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCC(=O)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O.
What is the InChIKey of acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is ZQDZCEASRURVPT-SZHGTAJASA-N. The full InChI is InChI=1S/C23H26BrN3O4.C21H22BrNO4.C21H24BrNO3.C21H22BrNO2.C2H6N2O/c1-16(18-8-10-20(24)11-9-18)27-15-14-23(31-22(27)30,19-6-4-3-5-7-19)13-12-21(29)26-25-17(2)28;1-15(16-7-9-18(22)10-8-16)23-14-13-21(27-20(23)26,12-11-19(24)25)17-5-3-2-4-6-17;1-16(17-8-10-19(22)11-9-17)23-14-13-21(12-5-15-24,26-20(23)25)18-6-3-2-4-7-18;1-3-13-21(18-7-5-4-6-8-18)14-15-23(20(24)25-21)16(2)17-9-11-19(22)12-10-17;1-2(5)4-3/h3-11,16H,12-15H2,1-2H3,(H,25,28)(H,26,29);2-10,15H,11-14H2,1H3,(H,24,25);2-4,6-11,16,24H,5,12-15H2,1H3;3-12,16H,1,13-15H2,2H3;3H2,1H3,(H,4,5)/t16-,23+;15-,21+;2*16-,21+;/m0000./s1.
What are the key properties of acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 1813.43 g/mol, XLogP of 19.15, 23 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;N'-acetyl-3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanehydrazide;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one;3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid;(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 162189973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).