N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

C22H22N2O5 — CID 7565046

IUPACN,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C22H22N2O5/c1-3-24(4-2)22(27)16-5-9-17(10-6-16)23-20(25)14-28-18-11-7-15-8-12-21(26)29-19(15)13-18/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyISLZYSJFQLTAMY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.29
Rot. Bonds7

About N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (PubChem CID 7565046) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
PubChem CID7565046
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C22H22N2O5/c1-3-24(4-2)22(27)16-5-9-17(10-6-16)23-20(25)14-28-18-11-7-15-8-12-21(26)29-19(15)13-18/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyISLZYSJFQLTAMY-UHFFFAOYSA-N
XLogP3.29
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511803
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55340959
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
2,2-dimethyl-N-[4-[2-(2-oxochromen-7-yl)oxyacetyl]phenyl]propanamide
CID 7432101
[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (CID 7565046) is N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is ISLZYSJFQLTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-24(4-2)22(27)16-5-9-17(10-6-16)23-20(25)14-28-18-11-7-15-8-12-21(26)29-19(15)13-18/h5-13H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 7565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).