(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one

C18H26N2O2 — CID 155901497

IUPAC(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
SMILESCN1C(=O)c2ccccc2OCCCCC[C@H]2NCCC[C@H]21
InChIInChI=1S/C18H26N2O2/c1-20-16-10-7-12-19-15(16)9-3-2-6-13-22-17-11-5-4-8-14(17)18(20)21/h4-5,8,11,15-16,19H,2-3,6-7,9-10,12-13H2,1H3/t15-,16-/m1/s1
InChIKeyFSRVKQVOQAVQBM-HZPDHXFCSA-N
MW302.42 g/mol
LogP2.83
Rot. Bonds

About (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one

(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one (PubChem CID 155901497) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one.

Molecular Properties

Compound Name(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
PubChem CID155901497
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
SMILESCN1C(=O)c2ccccc2OCCCCC[C@H]2NCCC[C@H]21
InChIInChI=1S/C18H26N2O2/c1-20-16-10-7-12-19-15(16)9-3-2-6-13-22-17-11-5-4-8-14(17)18(20)21/h4-5,8,11,15-16,19H,2-3,6-7,9-10,12-13H2,1H3/t15-,16-/m1/s1
InChIKeyFSRVKQVOQAVQBM-HZPDHXFCSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one?
The IUPAC name of (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one (CID 155901497) is (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one.
What is the SMILES notation for (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one?
The canonical SMILES for (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one is CN1C(=O)c2ccccc2OCCCCC[C@H]2NCCC[C@H]21.
What is the InChIKey of (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one?
The InChIKey is FSRVKQVOQAVQBM-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20-16-10-7-12-19-15(16)9-3-2-6-13-22-17-11-5-4-8-14(17)18(20)21/h4-5,8,11,15-16,19H,2-3,6-7,9-10,12-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one?
(1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,16R)-2-methyl-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one is sourced from PubChem (CID 155901497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).