2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide

C21H21NO6 — CID 4914850

IUPAC2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NCC3CCCO3)ccc12
InChIInChI=1S/C21H21NO6/c1-25-13-4-6-16-17-7-5-14(10-19(17)28-21(24)18(16)9-13)27-12-20(23)22-11-15-3-2-8-26-15/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,22,23)
InChIKeyIMYHLAJKIGQNII-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.63
Rot. Bonds6

About 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide

2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4914850) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4914850
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NCC3CCCO3)ccc12
InChIInChI=1S/C21H21NO6/c1-25-13-4-6-16-17-7-5-14(10-19(17)28-21(24)18(16)9-13)27-12-20(23)22-11-15-3-2-8-26-15/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,22,23)
InChIKeyIMYHLAJKIGQNII-UHFFFAOYSA-N
XLogP2.63
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 2938022
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 172658899
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (CID 4914850) is 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NCC3CCCO3)ccc12.
What is the InChIKey of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IMYHLAJKIGQNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-25-13-4-6-16-17-7-5-14(10-19(17)28-21(24)18(16)9-13)27-12-20(23)22-11-15-3-2-8-26-15/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,22,23).
What are the key properties of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4914850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).