N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide

C19H23NO4 — CID 2910388

IUPACN,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3
InChIInChI=1S/C19H23NO4/c1-3-20(4-2)18(21)12-23-13-9-10-15-14-7-5-6-8-16(14)19(22)24-17(15)11-13/h9-11H,3-8,12H2,1-2H3
InChIKeyYNAFRFGPQZDTDS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.92
Rot. Bonds5

About N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide

N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide (PubChem CID 2910388) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
PubChem CID2910388
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3
InChIInChI=1S/C19H23NO4/c1-3-20(4-2)18(21)12-23-13-9-10-15-14-7-5-6-8-16(14)19(22)24-17(15)11-13/h9-11H,3-8,12H2,1-2H3
InChIKeyYNAFRFGPQZDTDS-UHFFFAOYSA-N
XLogP2.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The IUPAC name of N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide (CID 2910388) is N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide is CCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3.
What is the InChIKey of N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
The InChIKey is YNAFRFGPQZDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-20(4-2)18(21)12-23-13-9-10-15-14-7-5-6-8-16(14)19(22)24-17(15)11-13/h9-11H,3-8,12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide?
N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide is sourced from PubChem (CID 2910388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).