N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

C21H21NO4 — CID 988851

IUPACN,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-3-22(4-2)20(23)14-25-16-10-11-17-18(15-8-6-5-7-9-15)13-21(24)26-19(17)12-16/h5-13H,3-4,14H2,1-2H3
InChIKeyNBOXSCBZTYQNSR-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.71
Rot. Bonds6

About N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 988851) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID988851
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-3-22(4-2)20(23)14-25-16-10-11-17-18(15-8-6-5-7-9-15)13-21(24)26-19(17)12-16/h5-13H,3-4,14H2,1-2H3
InChIKeyNBOXSCBZTYQNSR-UHFFFAOYSA-N
XLogP3.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-YL)oxy)acetamide
CID 744830
7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
7-(2-Oxopropoxy)-4-phenyl-2H-1-benzopyran-2-one
CID 886516
7-(4-Methoxy-benzyloxy)-4-methyl-chromen-2-one
CID 804039
methyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoate
CID 2787482
4-Methyl-5,7-bis(2-(4-morpholinyl)ethoxy)-2H-1-benzopyran-2-one
CID 65686
7-(2-Oxo-2-pyrrolidin-1-yl-ethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 769357
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 988851) is N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is CCN(CC)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is NBOXSCBZTYQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-22(4-2)20(23)14-25-16-10-11-17-18(15-8-6-5-7-9-15)13-21(24)26-19(17)12-16/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 988851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).