21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one

C23H24N4O5 — CID 69078378

IUPAC21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
SMILESCOc1cc2c(nc1OC)C(=O)C(C(C)CN(C)C)c1c-2nnc2cc3c(cc12)OCO3
InChIInChI=1S/C23H24N4O5/c1-11(9-27(2)3)18-19-12-6-15-16(32-10-31-15)8-14(12)25-26-20(19)13-7-17(29-4)23(30-5)24-21(13)22(18)28/h6-8,11,18H,9-10H2,1-5H3
InChIKeyBLVANUBGHOWEIP-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.92
Rot. Bonds5

About 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one

21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one (PubChem CID 69078378) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one.

Molecular Properties

Compound Name21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
PubChem CID69078378
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
SMILESCOc1cc2c(nc1OC)C(=O)C(C(C)CN(C)C)c1c-2nnc2cc3c(cc12)OCO3
InChIInChI=1S/C23H24N4O5/c1-11(9-27(2)3)18-19-12-6-15-16(32-10-31-15)8-14(12)25-26-20(19)13-7-17(29-4)23(30-5)24-21(13)22(18)28/h6-8,11,18H,9-10H2,1-5H3
InChIKeyBLVANUBGHOWEIP-UHFFFAOYSA-N
XLogP2.92
TPSA95.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one?
The IUPAC name of 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one (CID 69078378) is 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one.
What is the SMILES notation for 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one?
The canonical SMILES for 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one is COc1cc2c(nc1OC)C(=O)C(C(C)CN(C)C)c1c-2nnc2cc3c(cc12)OCO3.
What is the InChIKey of 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one?
The InChIKey is BLVANUBGHOWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-11(9-27(2)3)18-19-12-6-15-16(32-10-31-15)8-14(12)25-26-20(19)13-7-17(29-4)23(30-5)24-21(13)22(18)28/h6-8,11,18H,9-10H2,1-5H3.
What are the key properties of 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one?
21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one has a molecular weight of 436.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[1-(dimethylamino)propan-2-yl]-16,17-dimethoxy-5,7-dioxa-11,12,18-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one is sourced from PubChem (CID 69078378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).