16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide

C24H21N3O4 — CID 8016727

IUPAC16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide
SMILESCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23
InChIInChI=1S/C24H21N3O4/c1-4-11-25-23(28)16-12-15-13-7-5-6-8-17(13)27-21(15)20(26-16)14-9-10-18(30-2)22(31-3)19(14)24(27)29/h5-10,12H,4,11H2,1-3H3,(H,25,28)
InChIKeySGXFAZTYOXRMSW-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.75
Rot. Bonds5

About 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide

16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide (PubChem CID 8016727) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide.

Molecular Properties

Compound Name16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide
PubChem CID8016727
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide
SMILESCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23
InChIInChI=1S/C24H21N3O4/c1-4-11-25-23(28)16-12-15-13-7-5-6-8-17(13)27-21(15)20(26-16)14-9-10-18(30-2)22(31-3)19(14)24(27)29/h5-10,12H,4,11H2,1-3H3,(H,25,28)
InChIKeySGXFAZTYOXRMSW-UHFFFAOYSA-N
XLogP3.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide?
The IUPAC name of 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide (CID 8016727) is 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide.
What is the SMILES notation for 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide?
The canonical SMILES for 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide is CCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23.
What is the InChIKey of 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide?
The InChIKey is SGXFAZTYOXRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-4-11-25-23(28)16-12-15-13-7-5-6-8-17(13)27-21(15)20(26-16)14-9-10-18(30-2)22(31-3)19(14)24(27)29/h5-10,12H,4,11H2,1-3H3,(H,25,28).
What are the key properties of 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide?
16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-dimethoxy-19-oxo-N-propyl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxamide is sourced from PubChem (CID 8016727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).