N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide

C20H25NO4 — CID 4816840

IUPACN-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N(C)C3CCCCC3)ccc12
InChIInChI=1S/C20H25NO4/c1-3-14-11-20(23)25-18-12-16(9-10-17(14)18)24-13-19(22)21(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyQTIQYPAIECUPDA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.53
Rot. Bonds5

About N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide

N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide (PubChem CID 4816840) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
PubChem CID4816840
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N(C)C3CCCCC3)ccc12
InChIInChI=1S/C20H25NO4/c1-3-14-11-20(23)25-18-12-16(9-10-17(14)18)24-13-19(22)21(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyQTIQYPAIECUPDA-UHFFFAOYSA-N
XLogP3.53
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.53
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-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643711
7-[2-[(3S,4S)-3-(dimethylamino)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]-4-ethylchromen-2-one
CID 171907681
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
CID 42967629
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171386772
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858957
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide (CID 4816840) is N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide is CCc1cc(=O)oc2cc(OCC(=O)N(C)C3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide?
The InChIKey is QTIQYPAIECUPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-14-11-20(23)25-18-12-16(9-10-17(14)18)24-13-19(22)21(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide?
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide is sourced from PubChem (CID 4816840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).