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

C22H31NO2 — CID 164904844

IUPAC15-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
SMILESCCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C
InChIInChI=1S/C22H31NO2/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/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3
InChIKeyYRFXIDAOZFAIPT-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.31
Rot. Bonds3

About 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

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 164904844) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 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 Name15-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 CID164904844
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name15-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
SMILESCCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C
InChIInChI=1S/C22H31NO2/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/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3
InChIKeyYRFXIDAOZFAIPT-UHFFFAOYSA-N
XLogP5.31
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
12-ethyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 176797404
(1R,12S,15S,17S)-12-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 171470275
(12S)-12,17-dimethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 164904845
(1R,15S)-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 171470294
(1R,15S,17S)-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
CID 172506149
12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
CID 177141992
9-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ol
CID 170405732
(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol
CID 121371828
3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 121371791
4-butyl-2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepin-9-ol
CID 177206939
4-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-3-fluorophenol
CID 107720941

Frequently Asked Questions

What is the IUPAC name of 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 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 164904844) is 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 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 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 CCCC1Cc2c(oc3ccc(O)cc23)C2CC(C)CN1C2C(C)C.
What is the InChIKey of 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 YRFXIDAOZFAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/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/h7-8,11,13-15,19,21,24H,5-6,9-10,12H2,1-4H3.
What are the key properties of 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?
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 341.50 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 164904844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).