Skip to content

14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene

C21H21NO — CID 168834218

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene
SMILESCC(C)n1c2c(c3c1CCc1oc4ccccc4c1-3)C=CCC2
InChIInChI=1S/C21H21NO/c1-13(2)22-16-9-5-3-7-14(16)20-17(22)11-12-19-21(20)15-8-4-6-10-18(15)23-19/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3
InChIKeyWOFWENZKSQQRRC-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.54
Rot. Bonds1

About 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene

14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene (PubChem CID 168834218) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene.

Molecular Properties

Compound Name14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene
PubChem CID168834218
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene
SMILESCC(C)n1c2c(c3c1CCc1oc4ccccc4c1-3)C=CCC2
InChIInChI=1S/C21H21NO/c1-13(2)22-16-9-5-3-7-14(16)20-17(22)11-12-19-21(20)15-8-4-6-10-18(15)23-19/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3
InChIKeyWOFWENZKSQQRRC-UHFFFAOYSA-N
XLogP5.54
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene?
The IUPAC name of 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene (CID 168834218) is 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene.
What is the SMILES notation for 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene?
The canonical SMILES for 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene is CC(C)n1c2c(c3c1CCc1oc4ccccc4c1-3)C=CCC2.
What is the InChIKey of 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene?
The InChIKey is WOFWENZKSQQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-13(2)22-16-9-5-3-7-14(16)20-17(22)11-12-19-21(20)15-8-4-6-10-18(15)23-19/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3.
What are the key properties of 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene?
14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene has a molecular weight of 303.40 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propan-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15(20),18-heptaene is sourced from PubChem (CID 168834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.