3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide

C21H24N2O3 — CID 46414728

IUPAC3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C21H24N2O3/c1-4-26-19-11-10-18(13-20(19)25-3)15(2)23-21(24)12-9-16-5-7-17(14-22)8-6-16/h5-8,10-11,13,15H,4,9,12H2,1-3H3,(H,23,24)
InChIKeyVEOYRBCOMVDPGD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds8

About 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide

3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide (PubChem CID 46414728) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
PubChem CID46414728
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C21H24N2O3/c1-4-26-19-11-10-18(13-20(19)25-3)15(2)23-21(24)12-9-16-5-7-17(14-22)8-6-16/h5-8,10-11,13,15H,4,9,12H2,1-3H3,(H,23,24)
InChIKeyVEOYRBCOMVDPGD-UHFFFAOYSA-N
XLogP3.78
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
N-[(4-chlorophenyl)-cyanomethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 23103259
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide (CID 46414728) is 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide is CCOc1ccc(C(C)NC(=O)CCc2ccc(C#N)cc2)cc1OC.
What is the InChIKey of 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The InChIKey is VEOYRBCOMVDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-26-19-11-10-18(13-20(19)25-3)15(2)23-21(24)12-9-16-5-7-17(14-22)8-6-16/h5-8,10-11,13,15H,4,9,12H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46414728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).