N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide

C22H29NO4 — CID 132655758

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-20-11-9-18(13-21(20)26-7-2)14-23-22(24)17(5)27-19-10-8-15(3)16(4)12-19/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)
InChIKeyRSRQWLIRARGIFX-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.18
Rot. Bonds9

About N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide

N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 132655758) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID132655758
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-20-11-9-18(13-21(20)26-7-2)14-23-22(24)17(5)27-19-10-8-15(3)16(4)12-19/h8-13,17H,6-7,14H2,1-5H3,(H,23,24)
InChIKeyRSRQWLIRARGIFX-UHFFFAOYSA-N
XLogP4.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 132662629
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
CID 40817451
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide (CID 132655758) is N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide is CCOc1ccc(CNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is RSRQWLIRARGIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-25-20-11-9-18(13-21(20)26-7-2)14-23-22(24)17(5)27-19-10-8-15(3)16(4)12-19/h8-13,17H,6-7,14H2,1-5H3,(H,23,24).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide?
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 132655758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).