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

C19H19N3O2 — CID 24955343

IUPACN-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)nn2ccc3c(c12)CCO3
InChIInChI=1S/C19H19N3O2/c1-13(23)20-10-7-16-18(14-5-3-2-4-6-14)21-22-11-8-17-15(19(16)22)9-12-24-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,23)
InChIKeyZUNXJARMQXSYKS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.61
Rot. Bonds4

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

N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide (PubChem CID 24955343) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(4-phenyl-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-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
PubChem CID24955343
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)nn2ccc3c(c12)CCO3
InChIInChI=1S/C19H19N3O2/c1-13(23)20-10-7-16-18(14-5-3-2-4-6-14)21-22-11-8-17-15(19(16)22)9-12-24-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,23)
InChIKeyZUNXJARMQXSYKS-UHFFFAOYSA-N
XLogP2.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-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-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide (CID 24955343) is N-[2-(4-phenyl-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-phenyl-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-phenyl-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(-c2ccccc2)nn2ccc3c(c12)CCO3.
What is the InChIKey of N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
The InChIKey is ZUNXJARMQXSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)20-10-7-16-18(14-5-3-2-4-6-14)21-22-11-8-17-15(19(16)22)9-12-24-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide?
N-[2-(4-phenyl-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 321.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-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 24955343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).