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

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

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Related Compounds

3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole
CID 70912927
1-propan-2-yl-3,4-dihydrodibenzofuran
CID 144612953
21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16-nonaene
CID 167073252
1-butan-2-yl-3,4-dihydroxanthen-9-one
CID 10658605
9,10-di(propan-2-yl)-3,4-dihydrophenanthrene
CID 155644326
9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
CID 155748511
13-methyl-8,12-dioxatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
CID 58931547
15-propan-2-yl-10,24-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,12,18,20,22,26-decaene
CID 168834148
1-phenyl-N'-[phenyl-[1-(1-phenyl-8,9-dihydrodibenzofuran-2-yl)ethylamino]methyl]-3,4-dihydrodibenzofuran-2-carboximidamide
CID 174151797
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618
9,10-dichloro-1,2-dihydroanthracene
CID 154158053

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).