N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide

C22H17NO4 — CID 171617266

IUPACN-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESO=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCc1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(23-13-15-6-2-1-3-7-15)14-26-16-10-11-18-17-8-4-5-9-19(17)22(25)27-20(18)12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyCSHGHAHQKBPUFM-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 171617266) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID171617266
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC NameN-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESO=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCc1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(23-13-15-6-2-1-3-7-15)14-26-16-10-11-18-17-8-4-5-9-19(17)22(25)27-20(18)12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyCSHGHAHQKBPUFM-UHFFFAOYSA-N
XLogP3.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
CID 156790060
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4902196
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1304991
N-benzyl-2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 1193495
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 171617266) is N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide is O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is CSHGHAHQKBPUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(23-13-15-6-2-1-3-7-15)14-26-16-10-11-18-17-8-4-5-9-19(17)22(25)27-20(18)12-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 359.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 171617266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).