N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide

C14H17N3O2 — CID 24954991

IUPACN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3
InChIInChI=1S/C14H17N3O2/c1-9-11(3-6-15-10(2)18)14-12-5-8-19-13(12)4-7-17(14)16-9/h4,7H,3,5-6,8H2,1-2H3,(H,15,18)
InChIKeyQFLFQDPFCMVEHV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds3

About N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide

N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide (PubChem CID 24954991) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
PubChem CID24954991
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3
InChIInChI=1S/C14H17N3O2/c1-9-11(3-6-15-10(2)18)14-12-5-8-19-13(12)4-7-17(14)16-9/h4,7H,3,5-6,8H2,1-2H3,(H,15,18)
InChIKeyQFLFQDPFCMVEHV-UHFFFAOYSA-N
XLogP1.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide (CID 24954991) is N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide is CC(=O)NCCc1c(C)nn2ccc3c(c12)CCO3.
What is the InChIKey of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
The InChIKey is QFLFQDPFCMVEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-11(3-6-15-10(2)18)14-12-5-8-19-13(12)4-7-17(14)16-9/h4,7H,3,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide is sourced from PubChem (CID 24954991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).