N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

C19H20N2O4 — CID 17468405

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1(C#N)CCCCC1
InChIInChI=1S/C19H20N2O4/c1-21(19(13-20)9-3-2-4-10-19)17(22)12-24-15-7-5-14-6-8-18(23)25-16(14)11-15/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyXFASUICXZGTXHR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.86
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 17468405) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID17468405
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1(C#N)CCCCC1
InChIInChI=1S/C19H20N2O4/c1-21(19(13-20)9-3-2-4-10-19)17(22)12-24-15-7-5-14-6-8-18(23)25-16(14)11-15/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyXFASUICXZGTXHR-UHFFFAOYSA-N
XLogP2.86
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-2-(3-cyanophenoxy)-N-methylacetamide
CID 51173400
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 7382488
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861580

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (CID 17468405) is N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is CN(C(=O)COc1ccc2ccc(=O)oc2c1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is XFASUICXZGTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(19(13-20)9-3-2-4-10-19)17(22)12-24-15-7-5-14-6-8-18(23)25-16(14)11-15/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 340.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 17468405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).