2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate

C23H31NO3 — CID 24834681

IUPAC2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
SMILESCCN(CC)CCOC(=O)C(Cc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C23H31NO3/c1-4-24(5-2)15-16-27-23(25)21(17-19-9-7-6-8-10-19)18-20-11-13-22(26-3)14-12-20/h6-14,21H,4-5,15-18H2,1-3H3
InChIKeyVQLNPOUYUDIYAN-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.98
Rot. Bonds11

About 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate

2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate (PubChem CID 24834681) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
PubChem CID24834681
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
SMILESCCN(CC)CCOC(=O)C(Cc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C23H31NO3/c1-4-24(5-2)15-16-27-23(25)21(17-19-9-7-6-8-10-19)18-20-11-13-22(26-3)14-12-20/h6-14,21H,4-5,15-18H2,1-3H3
InChIKeyVQLNPOUYUDIYAN-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-benzyl-3-[2-(diethylamino)ethylsulfonyl]propanoic acid
CID 15296673
2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
CID 156854026
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
methyl 2-benzyl-3-[4-(2-chloroethoxy)phenyl]propanoate
CID 22041546
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
CID 21128725
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate (CID 24834681) is 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate is CCN(CC)CCOC(=O)C(Cc1ccccc1)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate?
The InChIKey is VQLNPOUYUDIYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-24(5-2)15-16-27-23(25)21(17-19-9-7-6-8-10-19)18-20-11-13-22(26-3)14-12-20/h6-14,21H,4-5,15-18H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate?
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate has a molecular weight of 369.51 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 24834681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).