2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate

C23H31NO3 — CID 17997

IUPAC2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
SMILESCCCCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-4-6-17-24(5-2)18-19-27-22(25)23(26-3,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3
InChIKeyXQBRAXUXQQMJFW-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.24
Rot. Bonds11

About 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate

2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate (PubChem CID 17997) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
PubChem CID17997
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
SMILESCCCCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-4-6-17-24(5-2)18-19-27-22(25)23(26-3,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3
InChIKeyXQBRAXUXQQMJFW-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68613707
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2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-[2-(dihexylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
CID 68615071
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
butyl 2,2-dibromo-2-phenylacetate
CID 67401521
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
dibutyl 2-chloro-2-phenylpropanedioate
CID 19073801
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
2-[6-[2-(4-benzoylbenzoyl)oxyethyl-ethylamino]hexyl-ethylamino]ethyl 4-benzoylbenzoate
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butyl 3-amino-2-hydroxy-2-phenylpropanoate
CID 54483701

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate?
The IUPAC name of 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate (CID 17997) is 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate.
What is the SMILES notation for 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate?
The canonical SMILES for 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate is CCCCN(CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate?
The InChIKey is XQBRAXUXQQMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-6-17-24(5-2)18-19-27-22(25)23(26-3,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3.
What are the key properties of 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate?
2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate has a molecular weight of 369.50 g/mol, XLogP of 4.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate is sourced from PubChem (CID 17997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).