N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H23NO4 — CID 907483

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCC3=CCCCC3)ccc12
InChIInChI=1S/C20H23NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,21,22)
InChIKeyJQQIKPRNKDRMFC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 907483) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID907483
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCC3=CCCCC3)ccc12
InChIInChI=1S/C20H23NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,21,22)
InChIKeyJQQIKPRNKDRMFC-UHFFFAOYSA-N
XLogP3.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108736368
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 907483) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NCCC3=CCCCC3)ccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is JQQIKPRNKDRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-11-20(23)25-18-12-16(7-8-17(14)18)24-13-19(22)21-10-9-15-5-3-2-4-6-15/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 907483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).