6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

C22H27NO6 — CID 134575760

IUPAC6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(COC2CCCCO2)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C22H27NO6/c1-15(2)23-22(25)21-20(28-13-16-8-4-3-5-9-16)18(24)12-17(29-21)14-27-19-10-6-7-11-26-19/h3-5,8-9,12,15,19H,6-7,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyLHEAKVFJCLTCQC-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.40
Rot. Bonds8

About 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (PubChem CID 134575760) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
PubChem CID134575760
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1oc(COC2CCCCO2)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C22H27NO6/c1-15(2)23-22(25)21-20(28-13-16-8-4-3-5-9-16)18(24)12-17(29-21)14-27-19-10-6-7-11-26-19/h3-5,8-9,12,15,19H,6-7,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyLHEAKVFJCLTCQC-UHFFFAOYSA-N
XLogP3.40
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
2-(3-methylbutanoyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-1H-pyridin-4-one
CID 158067897
6-[(4-fluorophenyl)-(oxan-2-yloxy)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxylic acid
CID 21474289
3-hydroxy-2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)pyran-4-one
CID 58916952
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
(3S)-5-methyl-2-(oxan-2-yloxy)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 18633321
ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
CID 66599851
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
CID 138107737
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
N-[2-[2-[oxan-2-yloxy(phenyl)methyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]ethyl]acetamide
CID 21474374
3-(oxan-2-yloxymethyl)benzamide
CID 139882771

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (CID 134575760) is 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is CC(C)NC(=O)c1oc(COC2CCCCO2)cc(=O)c1OCc1ccccc1.
What is the InChIKey of 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is LHEAKVFJCLTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-15(2)23-22(25)21-20(28-13-16-8-4-3-5-9-16)18(24)12-17(29-21)14-27-19-10-6-7-11-26-19/h3-5,8-9,12,15,19H,6-7,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 134575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).