[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate

C18H25NO3 — CID 3637168

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
SMILESCC(OC(=O)c1ccc(C(C)C)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H25NO3/c1-12(2)14-8-10-15(11-9-14)18(21)22-13(3)17(20)19-16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,19,20)
InChIKeyUBCPQLQEKBOFKC-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.41
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate (PubChem CID 3637168) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
PubChem CID3637168
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
SMILESCC(OC(=O)c1ccc(C(C)C)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H25NO3/c1-12(2)14-8-10-15(11-9-14)18(21)22-13(3)17(20)19-16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,19,20)
InChIKeyUBCPQLQEKBOFKC-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833961
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2628800
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274992

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate (CID 3637168) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate is CC(OC(=O)c1ccc(C(C)C)cc1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate?
The InChIKey is UBCPQLQEKBOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)14-8-10-15(11-9-14)18(21)22-13(3)17(20)19-16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,19,20).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate has a molecular weight of 303.40 g/mol, XLogP of 3.41, 5 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] 4-propan-2-ylbenzoate is sourced from PubChem (CID 3637168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).