ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone

C23H28N2O2 — CID 162723386

IUPACethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone
SMILESCC.CCC1C2=C(ON1C)c1ccccc1CN(C(C)=O)c1ccccc12
InChIInChI=1S/C21H22N2O2.C2H6/c1-4-18-20-17-11-7-8-12-19(17)23(14(2)24)13-15-9-5-6-10-16(15)21(20)25-22(18)3;1-2/h5-12,18H,4,13H2,1-3H3;1-2H3
InChIKeyLFELRLVNVDOTEE-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.10
Rot. Bonds1

About ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone

ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone (PubChem CID 162723386) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone
PubChem CID162723386
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Nameethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone
SMILESCC.CCC1C2=C(ON1C)c1ccccc1CN(C(C)=O)c1ccccc12
InChIInChI=1S/C21H22N2O2.C2H6/c1-4-18-20-17-11-7-8-12-19(17)23(14(2)24)13-15-9-5-6-10-16(15)21(20)25-22(18)3;1-2/h5-12,18H,4,13H2,1-3H3;1-2H3
InChIKeyLFELRLVNVDOTEE-UHFFFAOYSA-N
XLogP5.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone?
The IUPAC name of ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone (CID 162723386) is ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone.
What is the SMILES notation for ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone?
The canonical SMILES for ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone is CC.CCC1C2=C(ON1C)c1ccccc1CN(C(C)=O)c1ccccc12.
What is the InChIKey of ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone?
The InChIKey is LFELRLVNVDOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C2H6/c1-4-18-20-17-11-7-8-12-19(17)23(14(2)24)13-15-9-5-6-10-16(15)21(20)25-22(18)3;1-2/h5-12,18H,4,13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone?
ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone has a molecular weight of 364.49 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-ethyl-4-methyl-3-oxa-4,13-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)ethanone is sourced from PubChem (CID 162723386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).