N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide

C20H27N3O3 — CID 22164219

IUPACN,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide
SMILESCN(C)C(=O)N1CCCC2CN3CCc4cc5c(cc4C3CC21)OCO5
InChIInChI=1S/C20H27N3O3/c1-21(2)20(24)23-6-3-4-14-11-22-7-5-13-8-18-19(26-12-25-18)9-15(13)17(22)10-16(14)23/h8-9,14,16-17H,3-7,10-12H2,1-2H3
InChIKeyMLVQJZGFGPCBLJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.48
Rot. Bonds

About N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide

N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide (PubChem CID 22164219) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide
PubChem CID22164219
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide
SMILESCN(C)C(=O)N1CCCC2CN3CCc4cc5c(cc4C3CC21)OCO5
InChIInChI=1S/C20H27N3O3/c1-21(2)20(24)23-6-3-4-14-11-22-7-5-13-8-18-19(26-12-25-18)9-15(13)17(22)10-16(14)23/h8-9,14,16-17H,3-7,10-12H2,1-2H3
InChIKeyMLVQJZGFGPCBLJ-UHFFFAOYSA-N
XLogP2.48
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide?
The IUPAC name of N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide (CID 22164219) is N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide.
What is the SMILES notation for N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide?
The canonical SMILES for N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide is CN(C)C(=O)N1CCCC2CN3CCc4cc5c(cc4C3CC21)OCO5.
What is the InChIKey of N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide?
The InChIKey is MLVQJZGFGPCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21(2)20(24)23-6-3-4-14-11-22-7-5-13-8-18-19(26-12-25-18)9-15(13)17(22)10-16(14)23/h8-9,14,16-17H,3-7,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide?
N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,7-dioxa-13,19-diazapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9-triene-19-carboxamide is sourced from PubChem (CID 22164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).