N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide

C19H25N5O3 — CID 110224304

IUPACN-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide
SMILESCc1oc2ncn3nc(C(NC(=O)C4CCOCC4)C(C)C)nc3c2c1C
InChIInChI=1S/C19H25N5O3/c1-10(2)15(21-18(25)13-5-7-26-8-6-13)16-22-17-14-11(3)12(4)27-19(14)20-9-24(17)23-16/h9-10,13,15H,5-8H2,1-4H3,(H,21,25)
InChIKeyQWMJSAJXSOIYLJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.73
Rot. Bonds4

About N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide

N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide (PubChem CID 110224304) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide
PubChem CID110224304
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide
SMILESCc1oc2ncn3nc(C(NC(=O)C4CCOCC4)C(C)C)nc3c2c1C
InChIInChI=1S/C19H25N5O3/c1-10(2)15(21-18(25)13-5-7-26-8-6-13)16-22-17-14-11(3)12(4)27-19(14)20-9-24(17)23-16/h9-10,13,15H,5-8H2,1-4H3,(H,21,25)
InChIKeyQWMJSAJXSOIYLJ-UHFFFAOYSA-N
XLogP2.73
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide (CID 110224304) is N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide is Cc1oc2ncn3nc(C(NC(=O)C4CCOCC4)C(C)C)nc3c2c1C.
What is the InChIKey of N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide?
The InChIKey is QWMJSAJXSOIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-10(2)15(21-18(25)13-5-7-26-8-6-13)16-22-17-14-11(3)12(4)27-19(14)20-9-24(17)23-16/h9-10,13,15H,5-8H2,1-4H3,(H,21,25).
What are the key properties of N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide?
N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]oxane-4-carboxamide is sourced from PubChem (CID 110224304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).