N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

C23H29NO6 — CID 4967747

IUPACN-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)NCC3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C23H29NO6/c1-13-14(2)22(26)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(25)24-11-15-6-5-9-27-15/h10,15H,5-9,11-12H2,1-4H3,(H,24,25)
InChIKeyVROOYHWJGQKECS-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.19
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (PubChem CID 4967747) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
PubChem CID4967747
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)NCC3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C23H29NO6/c1-13-14(2)22(26)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(25)24-11-15-6-5-9-27-15/h10,15H,5-9,11-12H2,1-4H3,(H,24,25)
InChIKeyVROOYHWJGQKECS-UHFFFAOYSA-N
XLogP3.19
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7096964
4-methyl-N-(oxolan-2-ylmethyl)-2-[[2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]pentanamide
CID 73256791
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 4967997
N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 4967664
3-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]propyl-dimethylazanium
CID 7096756
2-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]acetate
CID 7094831
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(3-benzyl-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 125395698
2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4869280
2-[(2,2-dimethyl-6-oxo-3,4,7,8,9,10-hexahydroisochromeno[3,4-f]chromen-11-yl)oxy]-N-(2-hydroxy-2-phenylethyl)acetamide
CID 4968055
(2S)-2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]butanoic acid
CID 40853879
2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]-3-methylpentanoic acid
CID 73256672
(2S)-2-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid
CID 7095211

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (CID 4967747) is N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is Cc1c(C)c2c(OCC(=O)NCC3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The InChIKey is VROOYHWJGQKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-13-14(2)22(26)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(25)24-11-15-6-5-9-27-15/h10,15H,5-9,11-12H2,1-4H3,(H,24,25).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is sourced from PubChem (CID 4967747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).