[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C19H25NO5 — CID 7855189

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25NO5/c1-2-17(21)14-8-10-16(11-9-14)24-13-19(23)25-12-18(22)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,22)
InChIKeyPZPBHCWBUNVHBO-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.65
Rot. Bonds8

About [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855189) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855189
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25NO5/c1-2-17(21)14-8-10-16(11-9-14)24-13-19(23)25-12-18(22)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,22)
InChIKeyPZPBHCWBUNVHBO-UHFFFAOYSA-N
XLogP2.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 11939223
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855189) is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is PZPBHCWBUNVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-2-17(21)14-8-10-16(11-9-14)24-13-19(23)25-12-18(22)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 347.41 g/mol, XLogP of 2.65, 8 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-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).