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

C19H23NO4 — CID 134004095

IUPACN-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC1CCCCC1N(C)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H23NO4/c1-13-5-3-4-6-16(13)20(2)18(21)12-23-15-9-7-14-8-10-19(22)24-17(14)11-15/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyLCOFLOSGBKALDD-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.21
Rot. Bonds4

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

N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 134004095) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID134004095
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC1CCCCC1N(C)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H23NO4/c1-13-5-3-4-6-16(13)20(2)18(21)12-23-15-9-7-14-8-10-19(22)24-17(14)11-15/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyLCOFLOSGBKALDD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-(1-cyanocyclohexyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 17468405
N-methyl-N-(2-methylcyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 134004130
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
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
N-cyclopropyl-2-(2-oxochromen-7-yl)oxy-N-(oxolan-3-ylmethyl)acetamide
CID 86990683
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
(Z)-2-methyl-3-[(2-oxochromen-7-yl)oxymethyl]-4-[(1R,6S)-2,2,6-trimethylcyclohexyl]but-2-enoic acid
CID 163193804
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 134004095) is N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide is CC1CCCCC1N(C)C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is LCOFLOSGBKALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-5-3-4-6-16(13)20(2)18(21)12-23-15-9-7-14-8-10-19(22)24-17(14)11-15/h7-11,13,16H,3-6,12H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 134004095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).