N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide

C18H21NO4 — CID 162515228

IUPACN,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2c(c1C)C(O)C(O)c1ccccc1-2
InChIInChI=1S/C18H21NO4/c1-4-19(5-2)18(22)16-10(3)13-15(21)14(20)11-8-6-7-9-12(11)17(13)23-16/h6-9,14-15,20-21H,4-5H2,1-3H3
InChIKeyWBCKVRYZUQQIAM-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.82
Rot. Bonds3

About N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide

N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide (PubChem CID 162515228) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide
PubChem CID162515228
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2c(c1C)C(O)C(O)c1ccccc1-2
InChIInChI=1S/C18H21NO4/c1-4-19(5-2)18(22)16-10(3)13-15(21)14(20)11-8-6-7-9-12(11)17(13)23-16/h6-9,14-15,20-21H,4-5H2,1-3H3
InChIKeyWBCKVRYZUQQIAM-UHFFFAOYSA-N
XLogP2.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide (CID 162515228) is N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide is CCN(CC)C(=O)c1oc2c(c1C)C(O)C(O)c1ccccc1-2.
What is the InChIKey of N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is WBCKVRYZUQQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-19(5-2)18(22)16-10(3)13-15(21)14(20)11-8-6-7-9-12(11)17(13)23-16/h6-9,14-15,20-21H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide?
N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dihydroxy-3-methyl-4,5-dihydrobenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 162515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).