N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide

C19H17NO4 — CID 1242771

IUPACN,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-20(2)18(21)12-23-15-9-8-14-10-16(13-6-4-3-5-7-13)19(22)24-17(14)11-15/h3-11H,12H2,1-2H3
InChIKeyIMIULAFCJBJCMI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.93
Rot. Bonds4

About N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide

N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 1242771) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID1242771
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-20(2)18(21)12-23-15-9-8-14-10-16(13-6-4-3-5-7-13)19(22)24-17(14)11-15/h3-11H,12H2,1-2H3
InChIKeyIMIULAFCJBJCMI-UHFFFAOYSA-N
XLogP2.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 1242771) is N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide is CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is IMIULAFCJBJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20(2)18(21)12-23-15-9-8-14-10-16(13-6-4-3-5-7-13)19(22)24-17(14)11-15/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 1242771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).