N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

C20H25NO6 — CID 123132743

IUPACN-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)CO)c12)OC(C)(C)CC3
InChIInChI=1S/C20H25NO6/c1-11-7-17(24)26-19-13-5-6-20(3,4)27-14(13)8-15(18(11)19)25-10-16(23)21-12(2)9-22/h7-8,12,22H,5-6,9-10H2,1-4H3,(H,21,23)
InChIKeyLMGHLUCNTPFDSW-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.08
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (PubChem CID 123132743) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
PubChem CID123132743
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)CO)c12)OC(C)(C)CC3
InChIInChI=1S/C20H25NO6/c1-11-7-17(24)26-19-13-5-6-20(3,4)27-14(13)8-15(18(11)19)25-10-16(23)21-12(2)9-22/h7-8,12,22H,5-6,9-10H2,1-4H3,(H,21,23)
InChIKeyLMGHLUCNTPFDSW-UHFFFAOYSA-N
XLogP2.08
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (CID 123132743) is N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is Cc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)CO)c12)OC(C)(C)CC3.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The InChIKey is LMGHLUCNTPFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-11-7-17(24)26-19-13-5-6-20(3,4)27-14(13)8-15(18(11)19)25-10-16(23)21-12(2)9-22/h7-8,12,22H,5-6,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide has a molecular weight of 375.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is sourced from PubChem (CID 123132743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).