3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

C22H29NO4 — CID 38501975

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-16(2)27-19-8-5-17(6-9-19)13-14-23-22(24)12-7-18-15-20(25-3)10-11-21(18)26-4/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,23,24)
InChIKeyXEMLBWMDDFQGEL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.78
Rot. Bonds10

About 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 38501975) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID38501975
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-16(2)27-19-8-5-17(6-9-19)13-14-23-22(24)12-7-18-15-20(25-3)10-11-21(18)26-4/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,23,24)
InChIKeyXEMLBWMDDFQGEL-UHFFFAOYSA-N
XLogP3.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
CID 11026837
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
2-[[3-(2,5-dimethoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253559

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 38501975) is 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is COc1ccc(OC)c(CCC(=O)NCCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is XEMLBWMDDFQGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(2)27-19-8-5-17(6-9-19)13-14-23-22(24)12-7-18-15-20(25-3)10-11-21(18)26-4/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,23,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 38501975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).