[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate

C16H21NO4 — CID 4216860

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCC(OC(=O)COc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21NO4/c1-12(16(19)17-13-7-5-6-8-13)21-15(18)11-20-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,17,19)
InChIKeyURVKTIASQDQUQL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.06
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate (PubChem CID 4216860) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
PubChem CID4216860
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCC(OC(=O)COc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21NO4/c1-12(16(19)17-13-7-5-6-8-13)21-15(18)11-20-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,17,19)
InChIKeyURVKTIASQDQUQL-UHFFFAOYSA-N
XLogP2.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-phenoxyacetamide
CID 832666
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
2-(4-methoxyphenoxy)-N-(6-{[(4-methoxyphenoxy)acetyl]amino}hexyl)acetamide
CID 4558233
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
[2-(Cyclopentylamino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856530
N-cyclopentyl-2-(2-hydroxyphenoxy)acetamide
CID 8002585

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate (CID 4216860) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate is CC(OC(=O)COc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The InChIKey is URVKTIASQDQUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(16(19)17-13-7-5-6-8-13)21-15(18)11-20-14-9-3-2-4-10-14/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,17,19).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate has a molecular weight of 291.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate is sourced from PubChem (CID 4216860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).