(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate

C18H25NO3 — CID 43038716

IUPAC(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate
SMILESNC(=O)C(OC(=O)CCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H25NO3/c19-18(21)17(15-11-5-2-6-12-15)22-16(20)13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14,17H,1,3-4,7-10,13H2,(H2,19,21)
InChIKeyFWVFDXAVHXUTJR-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.51
Rot. Bonds7

About (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate

(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate (PubChem CID 43038716) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate
PubChem CID43038716
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate
SMILESNC(=O)C(OC(=O)CCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H25NO3/c19-18(21)17(15-11-5-2-6-12-15)22-16(20)13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14,17H,1,3-4,7-10,13H2,(H2,19,21)
InChIKeyFWVFDXAVHXUTJR-UHFFFAOYSA-N
XLogP3.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate (CID 43038716) is (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate is NC(=O)C(OC(=O)CCCC1CCCCC1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate?
The InChIKey is FWVFDXAVHXUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c19-18(21)17(15-11-5-2-6-12-15)22-16(20)13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14,17H,1,3-4,7-10,13H2,(H2,19,21).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate?
(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate has a molecular weight of 303.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate is sourced from PubChem (CID 43038716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).