(5-phenylpentanoylamino) 2,2-dimethylpropanoate

C16H23NO3 — CID 146168467

IUPAC(5-phenylpentanoylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)CCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)15(19)20-17-14(18)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,18)
InChIKeyMPTFOMUPOYXNOR-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.02
Rot. Bonds5

About (5-phenylpentanoylamino) 2,2-dimethylpropanoate

(5-phenylpentanoylamino) 2,2-dimethylpropanoate (PubChem CID 146168467) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (5-phenylpentanoylamino) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-phenylpentanoylamino) 2,2-dimethylpropanoate
PubChem CID146168467
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(5-phenylpentanoylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)CCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)15(19)20-17-14(18)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,18)
InChIKeyMPTFOMUPOYXNOR-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-phenylpentanoylamino) 2,2-dimethylpropanoate?
The IUPAC name of (5-phenylpentanoylamino) 2,2-dimethylpropanoate (CID 146168467) is (5-phenylpentanoylamino) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-phenylpentanoylamino) 2,2-dimethylpropanoate?
The canonical SMILES for (5-phenylpentanoylamino) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC(=O)CCCCc1ccccc1.
What is the InChIKey of (5-phenylpentanoylamino) 2,2-dimethylpropanoate?
The InChIKey is MPTFOMUPOYXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)15(19)20-17-14(18)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,18).
What are the key properties of (5-phenylpentanoylamino) 2,2-dimethylpropanoate?
(5-phenylpentanoylamino) 2,2-dimethylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpentanoylamino) 2,2-dimethylpropanoate is sourced from PubChem (CID 146168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).