2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate

C16H15NO5 — CID 51059911

IUPAC2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
SMILESCc1c(OCC(N)=O)ccc2c1oc(=O)c1ccccc12.O
InChIInChI=1S/C16H13NO4.H2O/c1-9-13(20-8-14(17)18)7-6-11-10-4-2-3-5-12(10)16(19)21-15(9)11;/h2-7H,8H2,1H3,(H2,17,18);1H2
InChIKeyMBFPFSKNUNNRHB-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate

2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate (PubChem CID 51059911) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate.

Molecular Properties

Compound Name2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
PubChem CID51059911
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
SMILESCc1c(OCC(N)=O)ccc2c1oc(=O)c1ccccc12.O
InChIInChI=1S/C16H13NO4.H2O/c1-9-13(20-8-14(17)18)7-6-11-10-4-2-3-5-12(10)16(19)21-15(9)11;/h2-7H,8H2,1H3,(H2,17,18);1H2
InChIKeyMBFPFSKNUNNRHB-UHFFFAOYSA-N
XLogP1.29
TPSA114.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
ethyl 3-[7-(2-amino-2-oxoethoxy)-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 907650
5-(carbamoylamino)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
CID 3441402
N-[3-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4911936
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386
5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
CID 7001864
8-methoxy-4-methyl-3-phenacyloxybenzo[c]chromen-6-one
CID 2185542
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate?
The IUPAC name of 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate (CID 51059911) is 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate.
What is the SMILES notation for 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate?
The canonical SMILES for 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate is Cc1c(OCC(N)=O)ccc2c1oc(=O)c1ccccc12.O.
What is the InChIKey of 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate?
The InChIKey is MBFPFSKNUNNRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4.H2O/c1-9-13(20-8-14(17)18)7-6-11-10-4-2-3-5-12(10)16(19)21-15(9)11;/h2-7H,8H2,1H3,(H2,17,18);1H2.
What are the key properties of 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate?
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate has a molecular weight of 301.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate is sourced from PubChem (CID 51059911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).