3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C23H31NO5 — CID 38001101

IUPAC3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-5-28-20-11-8-17(16-22(20)29-6-2)9-12-23(25)24-14-13-18-7-10-19(26-3)21(15-18)27-4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,24,25)
InChIKeyFNJNUSNNEPFRAH-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.79
Rot. Bonds12

About 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 38001101) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID38001101
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C23H31NO5/c1-5-28-20-11-8-17(16-22(20)29-6-2)9-12-23(25)24-14-13-18-7-10-19(26-3)21(15-18)27-4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,24,25)
InChIKeyFNJNUSNNEPFRAH-UHFFFAOYSA-N
XLogP3.79
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 38001101) is 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is FNJNUSNNEPFRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-5-28-20-11-8-17(16-22(20)29-6-2)9-12-23(25)24-14-13-18-7-10-19(26-3)21(15-18)27-4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,24,25).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 401.50 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 38001101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).