(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol

C18H21NO3 — CID 138972220

IUPAC(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
SMILESCNCCC12c3c4ccc(OC)c3OC1C(O)C=C[C@H]2C=C4
InChIInChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13?,17?,18?/m1/s1
InChIKeyUYZBEQLUPPXGCM-LYFZNBEWSA-N
MW299.37 g/mol
LogP1.88
Rot. Bonds4

About (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol

(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol (PubChem CID 138972220) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol.

Molecular Properties

Compound Name(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
PubChem CID138972220
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
SMILESCNCCC12c3c4ccc(OC)c3OC1C(O)C=C[C@H]2C=C4
InChIInChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13?,17?,18?/m1/s1
InChIKeyUYZBEQLUPPXGCM-LYFZNBEWSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The IUPAC name of (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol (CID 138972220) is (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol.
What is the SMILES notation for (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The canonical SMILES for (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol is CNCCC12c3c4ccc(OC)c3OC1C(O)C=C[C@H]2C=C4.
What is the InChIKey of (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The InChIKey is UYZBEQLUPPXGCM-LYFZNBEWSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13?,17?,18?/m1/s1.
What are the key properties of (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
(5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol has a molecular weight of 299.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol is sourced from PubChem (CID 138972220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).