5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate

C24H39NO2 — CID 15157141

IUPAC5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate
SMILESCCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
InChIKeySHORJVPMMAZEFL-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.58
Rot. Bonds11

About 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate

5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate (PubChem CID 15157141) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate.

Molecular Properties

Compound Name5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate
PubChem CID15157141
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate
SMILESCCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
InChIKeySHORJVPMMAZEFL-UHFFFAOYSA-N
XLogP5.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate?
The IUPAC name of 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate (CID 15157141) is 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate.
What is the SMILES notation for 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate?
The canonical SMILES for 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate is CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate?
The InChIKey is SHORJVPMMAZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3.
What are the key properties of 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate?
5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate has a molecular weight of 373.58 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentyl 2-cyclohexyl-2-phenylpropanoate is sourced from PubChem (CID 15157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).