N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C19H24N2O5 — CID 97338612

IUPACN-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1CCC2(CC1)OC[C@@H](CNC(=O)c1cccc3c1OCC(=O)N3)O2
InChIInChI=1S/C19H24N2O5/c1-12-5-7-19(8-6-12)25-10-13(26-19)9-20-18(23)14-3-2-4-15-17(14)24-11-16(22)21-15/h2-4,12-13H,5-11H2,1H3,(H,20,23)(H,21,22)/t12?,13-,19?/m1/s1
InChIKeyVISXZRJFDRGWQH-FWHMADFJSA-N
MW360.41 g/mol
LogP2.07
Rot. Bonds3

About N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 97338612) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID97338612
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1CCC2(CC1)OC[C@@H](CNC(=O)c1cccc3c1OCC(=O)N3)O2
InChIInChI=1S/C19H24N2O5/c1-12-5-7-19(8-6-12)25-10-13(26-19)9-20-18(23)14-3-2-4-15-17(14)24-11-16(22)21-15/h2-4,12-13H,5-11H2,1H3,(H,20,23)(H,21,22)/t12?,13-,19?/m1/s1
InChIKeyVISXZRJFDRGWQH-FWHMADFJSA-N
XLogP2.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 97338612) is N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1CCC2(CC1)OC[C@@H](CNC(=O)c1cccc3c1OCC(=O)N3)O2.
What is the InChIKey of N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is VISXZRJFDRGWQH-FWHMADFJSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-5-7-19(8-6-12)25-10-13(26-19)9-20-18(23)14-3-2-4-15-17(14)24-11-16(22)21-15/h2-4,12-13H,5-11H2,1H3,(H,20,23)(H,21,22)/t12?,13-,19?/m1/s1.
What are the key properties of N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 97338612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).