19-(cyclohexylmethoxy)-18-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

C26H31NO4 — CID 56673761

IUPAC19-(cyclohexylmethoxy)-18-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
SMILESCOc1cc2c3c(c1OCC1CCCCC1)-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C26H31NO4/c1-27-9-8-17-11-23(28-2)26(29-14-16-6-4-3-5-7-16)25-19-13-22-21(30-15-31-22)12-18(19)10-20(27)24(17)25/h11-13,16,20H,3-10,14-15H2,1-2H3
InChIKeyRTPCUKYQCUOFSL-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.14
Rot. Bonds4

About 19-(cyclohexylmethoxy)-18-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

19-(cyclohexylmethoxy)-18-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 56673761) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 19-(cyclohexylmethoxy)-18-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 Name19-(cyclohexylmethoxy)-18-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 CID56673761
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name19-(cyclohexylmethoxy)-18-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
SMILESCOc1cc2c3c(c1OCC1CCCCC1)-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C26H31NO4/c1-27-9-8-17-11-23(28-2)26(29-14-16-6-4-3-5-7-16)25-19-13-22-21(30-15-31-22)12-18(19)10-20(27)24(17)25/h11-13,16,20H,3-10,14-15H2,1-2H3
InChIKeyRTPCUKYQCUOFSL-UHFFFAOYSA-N
XLogP5.14
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-(cyclohexylmethoxy)-18-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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Frequently Asked Questions

What is the IUPAC name of 19-(cyclohexylmethoxy)-18-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 19-(cyclohexylmethoxy)-18-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 56673761) is 19-(cyclohexylmethoxy)-18-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 19-(cyclohexylmethoxy)-18-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 19-(cyclohexylmethoxy)-18-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 COc1cc2c3c(c1OCC1CCCCC1)-c1cc4c(cc1CC3N(C)CC2)OCO4.
What is the InChIKey of 19-(cyclohexylmethoxy)-18-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 RTPCUKYQCUOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-27-9-8-17-11-23(28-2)26(29-14-16-6-4-3-5-7-16)25-19-13-22-21(30-15-31-22)12-18(19)10-20(27)24(17)25/h11-13,16,20H,3-10,14-15H2,1-2H3.
What are the key properties of 19-(cyclohexylmethoxy)-18-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?
19-(cyclohexylmethoxy)-18-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 421.54 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(cyclohexylmethoxy)-18-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 56673761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).