2-(diethylamino)ethyl 2,2-diphenylpentanoate

C23H31NO2 — CID 4910

IUPAC2-(diethylamino)ethyl 2,2-diphenylpentanoate
SMILESCCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKeySNTQPLDRUZOSDP-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.66
Rot. Bonds10

About 2-(diethylamino)ethyl 2,2-diphenylpentanoate

2-(diethylamino)ethyl 2,2-diphenylpentanoate (PubChem CID 4910) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-diphenylpentanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2-diphenylpentanoate
PubChem CID4910
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylpentanoate
SMILESCCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKeySNTQPLDRUZOSDP-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylpentanoate?
The IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylpentanoate (CID 4910) is 2-(diethylamino)ethyl 2,2-diphenylpentanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2-diphenylpentanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2,2-diphenylpentanoate is CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 2,2-diphenylpentanoate?
The InChIKey is SNTQPLDRUZOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2,2-diphenylpentanoate?
2-(diethylamino)ethyl 2,2-diphenylpentanoate has a molecular weight of 353.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2-diphenylpentanoate is sourced from PubChem (CID 4910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).