2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide

C22H18N2O4 — CID 156790060

IUPAC2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCc1ccccn1
InChIInChI=1S/C22H18N2O4/c25-21(24-12-10-15-5-3-4-11-23-15)14-27-16-8-9-18-17-6-1-2-7-19(17)22(26)28-20(18)13-16/h1-9,11,13H,10,12,14H2,(H,24,25)
InChIKeyVEGMKEIDHVYOJD-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.08
Rot. Bonds6

About 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide

2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 156790060) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID156790060
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCc1ccccn1
InChIInChI=1S/C22H18N2O4/c25-21(24-12-10-15-5-3-4-11-23-15)14-27-16-8-9-18-17-6-1-2-7-19(17)22(26)28-20(18)13-16/h1-9,11,13H,10,12,14H2,(H,24,25)
InChIKeyVEGMKEIDHVYOJD-UHFFFAOYSA-N
XLogP3.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]butanoic acid
CID 3322999
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
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-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4901618
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71707461
2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4902196

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide (CID 156790060) is 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide is O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCc1ccccn1.
What is the InChIKey of 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is VEGMKEIDHVYOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(24-12-10-15-5-3-4-11-23-15)14-27-16-8-9-18-17-6-1-2-7-19(17)22(26)28-20(18)13-16/h1-9,11,13H,10,12,14H2,(H,24,25).
What are the key properties of 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide?
2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 156790060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).