2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide

C19H16N2O6 — CID 166604349

IUPAC2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
SMILESNC(=O)COc1cc(OCC(N)=O)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16N2O6/c20-16(22)9-25-12-6-14(26-10-17(21)23)19-13(11-4-2-1-3-5-11)8-18(24)27-15(19)7-12/h1-8H,9-10H2,(H2,20,22)(H2,21,23)
InChIKeyMCQPBVNNLNTGCY-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.19
Rot. Bonds7

About 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide

2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide (PubChem CID 166604349) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
PubChem CID166604349
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
SMILESNC(=O)COc1cc(OCC(N)=O)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16N2O6/c20-16(22)9-25-12-6-14(26-10-17(21)23)19-13(11-4-2-1-3-5-11)8-18(24)27-15(19)7-12/h1-8H,9-10H2,(H2,20,22)(H2,21,23)
InChIKeyMCQPBVNNLNTGCY-UHFFFAOYSA-N
XLogP1.19
TPSA134.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide
CID 726147
2-(2-oxo-4-phenyl-6-propylchromen-7-yl)oxyacetamide
CID 166604353
5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
CID 807140
propan-2-yl 2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetate
CID 2888651
ethyl (2R)-2-[5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 1232628
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
methyl (2R)-2-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 986794
2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
CID 677583
N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 1300109
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide?
The IUPAC name of 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide (CID 166604349) is 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide is NC(=O)COc1cc(OCC(N)=O)c2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide?
The InChIKey is MCQPBVNNLNTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c20-16(22)9-25-12-6-14(26-10-17(21)23)19-13(11-4-2-1-3-5-11)8-18(24)27-15(19)7-12/h1-8H,9-10H2,(H2,20,22)(H2,21,23).
What are the key properties of 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide?
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide has a molecular weight of 368.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide is sourced from PubChem (CID 166604349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).