18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene

C23H25NO4 — CID 56673842

IUPAC18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
SMILESCOc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C23H25NO4/c1-24-6-5-14-8-20(26-11-13-3-4-13)23(25-2)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3
InChIKeyYTUNBRIKVNISRV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.96
Rot. Bonds4

About 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene

18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene (PubChem CID 56673842) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.

Molecular Properties

Compound Name18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
PubChem CID56673842
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
SMILESCOc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C23H25NO4/c1-24-6-5-14-8-20(26-11-13-3-4-13)23(25-2)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3
InChIKeyYTUNBRIKVNISRV-UHFFFAOYSA-N
XLogP3.96
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene with MolForge

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Related Compounds

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CID 34458
(+)-Isocorydine
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Acetylcodeine
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Chelidonine
CID 197810
(-)-Nuciferine
CID 10146
(+)-Magnoflorine
CID 73337

Frequently Asked Questions

What is the IUPAC name of 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The IUPAC name of 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene (CID 56673842) is 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.
What is the SMILES notation for 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The canonical SMILES for 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene is COc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1CC3N(C)CC2)OCO4.
What is the InChIKey of 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The InChIKey is YTUNBRIKVNISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-24-6-5-14-8-20(26-11-13-3-4-13)23(25-2)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3.
What are the key properties of 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene has a molecular weight of 379.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene is sourced from PubChem (CID 56673842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).