[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

C18H25NO4 — CID 7856530

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNFRZXZUHKSETFH-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.67
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (PubChem CID 7856530) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
PubChem CID7856530
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNFRZXZUHKSETFH-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
N-cyclohexyl-4-(2,5-dimethylphenoxy)butanamide
CID 1570418
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2475788
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543523
N-(1-methyl(4-piperidyl))-2-[5-methyl-2-(methylethyl)phenoxy]acetamide
CID 2971269
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6151532
[2-(Cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840249

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (CID 7856530) is [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is Cc1ccc(C)c(OCCC(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The InChIKey is NFRZXZUHKSETFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-7-8-14(2)16(11-13)22-10-9-18(21)23-12-17(20)19-15-5-3-4-6-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate has a molecular weight of 319.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 7856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).