[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C17H19NO6 — CID 3887001

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC(C)C)ccc12
InChIInChI=1S/C17H19NO6/c1-10(2)18-15(19)8-23-17(21)9-22-12-4-5-13-11(3)6-16(20)24-14(13)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyIVCDHJCWFYYRJK-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.55
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 3887001) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID3887001
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC(C)C)ccc12
InChIInChI=1S/C17H19NO6/c1-10(2)18-15(19)8-23-17(21)9-22-12-4-5-13-11(3)6-16(20)24-14(13)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyIVCDHJCWFYYRJK-UHFFFAOYSA-N
XLogP1.55
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.55
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

Chromonar
CID 12604
Chromonar Hydrochloride
CID 9800972
2-(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yloxy)-acetamide
CID 744830
N,N-diethyl-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 988851
7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
3,4,8-Trimethyl-7-(2-morpholin-4-yl-2-oxoethoxy)chromen-2-one
CID 888670
N-cyclopentyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907403
1-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1768027
1-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1768451
N-cyclohexyl-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
CID 2090716
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2415983

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 3887001) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC(C)C)ccc12.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is IVCDHJCWFYYRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10(2)18-15(19)8-23-17(21)9-22-12-4-5-13-11(3)6-16(20)24-14(13)7-12/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 333.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 3887001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).