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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).