N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H25NO4 — CID 18156097

IUPACN-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(C(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1
InChIInChI=1S/C20H25NO4/c1-3-21(15-7-5-4-6-8-15)19(22)13-24-16-9-10-17-14(2)11-20(23)25-18(17)12-16/h9-12,15H,3-8,13H2,1-2H3
InChIKeyIIIBIDXRJRODSY-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.66
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 18156097) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID18156097
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCN(C(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1
InChIInChI=1S/C20H25NO4/c1-3-21(15-7-5-4-6-8-15)19(22)13-24-16-9-10-17-14(2)11-20(23)25-18(17)12-16/h9-12,15H,3-8,13H2,1-2H3
InChIKeyIIIBIDXRJRODSY-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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

[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858957
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-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191715
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42896195

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 18156097) is N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCN(C(=O)COc1ccc2c(C)cc(=O)oc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is IIIBIDXRJRODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-21(15-7-5-4-6-8-15)19(22)13-24-16-9-10-17-14(2)11-20(23)25-18(17)12-16/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 18156097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).