N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

C19H23NO4 — CID 51287180

IUPACN-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CCCCCC1
InChIInChI=1S/C19H23NO4/c1-20(15-6-4-2-3-5-7-15)18(21)13-23-16-10-8-14-9-11-19(22)24-17(14)12-16/h8-12,15H,2-7,13H2,1H3
InChIKeyONGUZDAEEUMCKE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.35
Rot. Bonds4

About N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 51287180) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID51287180
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CCCCCC1
InChIInChI=1S/C19H23NO4/c1-20(15-6-4-2-3-5-7-15)18(21)13-23-16-10-8-14-9-11-19(22)24-17(14)12-16/h8-12,15H,2-7,13H2,1H3
InChIKeyONGUZDAEEUMCKE-UHFFFAOYSA-N
XLogP3.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (CID 51287180) is N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is CN(C(=O)COc1ccc2ccc(=O)oc2c1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ONGUZDAEEUMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(15-6-4-2-3-5-7-15)18(21)13-23-16-10-8-14-9-11-19(22)24-17(14)12-16/h8-12,15H,2-7,13H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 51287180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).