[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C23H29NO5 — CID 55326340

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)cc1OCC
InChIInChI=1S/C23H29NO5/c1-4-14-28-20-13-12-19(15-21(20)27-6-3)23(26)29-17-22(25)24(5-2)16-18-10-8-7-9-11-18/h7-13,15H,4-6,14,16-17H2,1-3H3
InChIKeyNRHLRPAGFBCJLG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.08
Rot. Bonds11

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 55326340) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID55326340
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)cc1OCC
InChIInChI=1S/C23H29NO5/c1-4-14-28-20-13-12-19(15-21(20)27-6-3)23(26)29-17-22(25)24(5-2)16-18-10-8-7-9-11-18/h7-13,15H,4-6,14,16-17H2,1-3H3
InChIKeyNRHLRPAGFBCJLG-UHFFFAOYSA-N
XLogP4.08
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55316186
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 30423493
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885400
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 55326340) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)cc1OCC.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is NRHLRPAGFBCJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-14-28-20-13-12-19(15-21(20)27-6-3)23(26)29-17-22(25)24(5-2)16-18-10-8-7-9-11-18/h7-13,15H,4-6,14,16-17H2,1-3H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 399.49 g/mol, XLogP of 4.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 55326340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).