2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide

C17H16N2O4 — CID 164598121

IUPAC2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12
InChIInChI=1S/C17H16N2O4/c1-19(2)9-16(21)18-10-3-5-13-12-6-4-11(20)8-14(12)17(22)23-15(13)7-10/h3-8,20H,9H2,1-2H3,(H,18,21)
InChIKeyAUUFHEDWELNNNQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.15
Rot. Bonds3

About 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide

2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide (PubChem CID 164598121) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide
PubChem CID164598121
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12
InChIInChI=1S/C17H16N2O4/c1-19(2)9-16(21)18-10-3-5-13-12-6-4-11(20)8-14(12)17(22)23-15(13)7-10/h3-8,20H,9H2,1-2H3,(H,18,21)
InChIKeyAUUFHEDWELNNNQ-UHFFFAOYSA-N
XLogP2.15
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
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

2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide
CID 167542121
8-[(dimethylamino)methyl]-3-hydroxybenzo[c]chromen-6-one
CID 170381068
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
8-hydroxy-3-nitrosobenzo[c]chromen-6-one
CID 144622401
2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-8-yl)acetamide
CID 11162234
CID 153050234
CID 153050234
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6226173
phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369
N-[3-(3-hydroxy-6-oxobenzo[c]chromen-8-yl)prop-2-ynyl]acetamide
CID 170381140
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
CID 167922839

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide (CID 164598121) is 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide is CN(C)CC(=O)Nc1ccc2c(c1)oc(=O)c1cc(O)ccc12.
What is the InChIKey of 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The InChIKey is AUUFHEDWELNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19(2)9-16(21)18-10-3-5-13-12-6-4-11(20)8-14(12)17(22)23-15(13)7-10/h3-8,20H,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide?
2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(8-hydroxy-6-oxobenzo[c]chromen-3-yl)acetamide is sourced from PubChem (CID 164598121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).