ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol

C26H43NO2 — CID 164904843

IUPACethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCC.CC.CCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C
InChIInChI=1S/C22H31NO2.2C2H6/c1-5-6-15-10-18-17-11-16(24)7-8-20(17)25-22(18)19-9-14(4)12-23(15)21(19)13(2)3;2*1-2/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3;2*1-2H3
InChIKeyATMRLTDAIUTMHL-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.37
Rot. Bonds3

About ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol

ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol (PubChem CID 164904843) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol.

Molecular Properties

Compound Nameethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
PubChem CID164904843
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Nameethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCC.CC.CCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C
InChIInChI=1S/C22H31NO2.2C2H6/c1-5-6-15-10-18-17-11-16(24)7-8-20(17)25-22(18)19-9-14(4)12-23(15)21(19)13(2)3;2*1-2/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3;2*1-2H3
InChIKeyATMRLTDAIUTMHL-UHFFFAOYSA-N
XLogP7.37
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The IUPAC name of ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol (CID 164904843) is ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol.
What is the SMILES notation for ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The canonical SMILES for ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol is CC.CC.CCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C.
What is the InChIKey of ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The InChIKey is ATMRLTDAIUTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.2C2H6/c1-5-6-15-10-18-17-11-16(24)7-8-20(17)25-22(18)19-9-14(4)12-23(15)21(19)13(2)3;2*1-2/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3;2*1-2H3.
What are the key properties of ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol has a molecular weight of 401.64 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;15-methyl-17-propan-2-yl-12-propyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol is sourced from PubChem (CID 164904843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).