2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide

C18H22N2O5 — CID 8563687

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)NCC(C)C)ccc12
InChIInChI=1S/C18H22N2O5/c1-10(2)8-19-18(23)20-15(21)9-24-14-6-5-13-11(3)7-16(22)25-17(13)12(14)4/h5-7,10H,8-9H2,1-4H3,(H2,19,20,21,23)
InChIKeyUFMAPBAQLFJOSX-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.27
Rot. Bonds5

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8563687) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8563687
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)NCC(C)C)ccc12
InChIInChI=1S/C18H22N2O5/c1-10(2)8-19-18(23)20-15(21)9-24-14-6-5-13-11(3)7-16(22)25-17(13)12(14)4/h5-7,10H,8-9H2,1-4H3,(H2,19,20,21,23)
InChIKeyUFMAPBAQLFJOSX-UHFFFAOYSA-N
XLogP2.27
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563829
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563832
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 8563812
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-octan-2-yl]acetamide
CID 8564343
N-[1-(3-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 18202507
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 8563913
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8563690
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
CID 95214572

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide (CID 8563687) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)NCC(C)C)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is UFMAPBAQLFJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-10(2)8-19-18(23)20-15(21)9-24-14-6-5-13-11(3)7-16(22)25-17(13)12(14)4/h5-7,10H,8-9H2,1-4H3,(H2,19,20,21,23).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8563687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).