(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione

C18H22N2O4 — CID 167750401

IUPAC(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione
SMILESCOC[C@H]1CC(=O)N(CCC2=CCc3ccc(OC)cc32)C(=O)N1
InChIInChI=1S/C18H22N2O4/c1-23-11-14-9-17(21)20(18(22)19-14)8-7-13-4-3-12-5-6-15(24-2)10-16(12)13/h4-6,10,14H,3,7-9,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWQQLTWAABCPGGU-CQSZACIVSA-N
MW330.38 g/mol
LogP1.98
Rot. Bonds6

About (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione

(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione (PubChem CID 167750401) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione
PubChem CID167750401
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione
SMILESCOC[C@H]1CC(=O)N(CCC2=CCc3ccc(OC)cc32)C(=O)N1
InChIInChI=1S/C18H22N2O4/c1-23-11-14-9-17(21)20(18(22)19-14)8-7-13-4-3-12-5-6-15(24-2)10-16(12)13/h4-6,10,14H,3,7-9,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWQQLTWAABCPGGU-CQSZACIVSA-N
XLogP1.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione (CID 167750401) is (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione is COC[C@H]1CC(=O)N(CCC2=CCc3ccc(OC)cc32)C(=O)N1.
What is the InChIKey of (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione?
The InChIKey is WQQLTWAABCPGGU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-11-14-9-17(21)20(18(22)19-14)8-7-13-4-3-12-5-6-15(24-2)10-16(12)13/h4-6,10,14H,3,7-9,11H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione?
(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167750401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).