[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C16H21NO4 — CID 7840249

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-20-14-8-4-5-12(9-14)10-16(19)21-11-15(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyBPEBWGCRXIGPEE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.84
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840249) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID7840249
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-20-14-8-4-5-12(9-14)10-16(19)21-11-15(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyBPEBWGCRXIGPEE-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 7840249) is [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is BPEBWGCRXIGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14-8-4-5-12(9-14)10-16(19)21-11-15(18)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 291.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).