[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate

C18H24N2O4 — CID 18195613

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(17(22)20-16-5-3-4-6-16)24-18(23)15-9-7-14(8-10-15)11-19-13(2)21/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTTCXTJROJUWME-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.93
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate (PubChem CID 18195613) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
PubChem CID18195613
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(17(22)20-16-5-3-4-6-16)24-18(23)15-9-7-14(8-10-15)11-19-13(2)21/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTTCXTJROJUWME-UHFFFAOYSA-N
XLogP1.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(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
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915177
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 46826467
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate (CID 18195613) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate is CC(=O)NCc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
The InChIKey is BTTCXTJROJUWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(17(22)20-16-5-3-4-6-16)24-18(23)15-9-7-14(8-10-15)11-19-13(2)21/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate has a molecular weight of 332.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18195613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).