[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

C18H25NO5 — CID 2343743

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20)
InChIKeyHQEQGQZPMNMBTM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.24
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 2343743) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID2343743
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20)
InChIKeyHQEQGQZPMNMBTM-UHFFFAOYSA-N
XLogP2.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propanidid
CID 15004
Azd-3043
CID 10286834
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 67318
2-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide
CID 1909740
2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983
2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
CID 2188594
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337903
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2370532
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2401830
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2415983

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 2343743) is [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is HQEQGQZPMNMBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-15-9-8-13(10-16(15)23-2)11-18(21)24-12-17(20)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 335.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 2343743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).