2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide

C19H22N2O4 — CID 3058817

IUPAC2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)oc2ccc3c(C)cc(=O)oc3c12
InChIInChI=1S/C19H22N2O4/c1-5-21(6-2)10-15(22)20-18-12(4)24-14-8-7-13-11(3)9-16(23)25-19(13)17(14)18/h7-9H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyKVGPUAOHUBAUGJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.44
Rot. Bonds5

About 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide

2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide (PubChem CID 3058817) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
PubChem CID3058817
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)oc2ccc3c(C)cc(=O)oc3c12
InChIInChI=1S/C19H22N2O4/c1-5-21(6-2)10-15(22)20-18-12(4)24-14-8-7-13-11(3)9-16(23)25-19(13)17(14)18/h7-9H,5-6,10H2,1-4H3,(H,20,22)
InChIKeyKVGPUAOHUBAUGJ-UHFFFAOYSA-N
XLogP3.44
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.44
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-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3058824
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(1-methylpiperazin-1-ium-1-yl)acetamide
CID 21153594
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
8-[[4-(diethylamino)phenyl]diazenyl]-9-hydroxy-4-methylfuro[2,3-h]chromen-2-one
CID 4573532
CID 89442401
CID 89442401
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
CID 14690244
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
CID 88718270

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide (CID 3058817) is 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide is CCN(CC)CC(=O)Nc1c(C)oc2ccc3c(C)cc(=O)oc3c12.
What is the InChIKey of 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide?
The InChIKey is KVGPUAOHUBAUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-21(6-2)10-15(22)20-18-12(4)24-14-8-7-13-11(3)9-16(23)25-19(13)17(14)18/h7-9H,5-6,10H2,1-4H3,(H,20,22).
What are the key properties of 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide?
2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)acetamide is sourced from PubChem (CID 3058817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).