[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

C17H23NO3 — CID 3930073

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C17H23NO3/c1-11-8-9-15(12(2)10-11)17(20)21-13(3)16(19)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,18,19)
InChIKeyGJSVMPVVIOPTOY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.91
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (PubChem CID 3930073) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
PubChem CID3930073
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C17H23NO3/c1-11-8-9-15(12(2)10-11)17(20)21-13(3)16(19)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,18,19)
InChIKeyGJSVMPVVIOPTOY-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (CID 3930073) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)c(C)c1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The InChIKey is GJSVMPVVIOPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-8-9-15(12(2)10-11)17(20)21-13(3)16(19)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,18,19).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate has a molecular weight of 289.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is sourced from PubChem (CID 3930073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).