N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide

C20H25NO3 — CID 78808087

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-21(20(22)13-11-16-8-6-5-7-9-16)15-17-10-12-18(23-2)19(14-17)24-3/h5-10,12,14H,4,11,13,15H2,1-3H3
InChIKeyIAFBWIZIVSXTOP-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.69
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide (PubChem CID 78808087) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
PubChem CID78808087
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-21(20(22)13-11-16-8-6-5-7-9-16)15-17-10-12-18(23-2)19(14-17)24-3/h5-10,12,14H,4,11,13,15H2,1-3H3
InChIKeyIAFBWIZIVSXTOP-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
(5-butyl-2-methoxyphenyl) 3-phenylpropanoate
CID 69351156
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide (CID 78808087) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide?
The InChIKey is IAFBWIZIVSXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-21(20(22)13-11-16-8-6-5-7-9-16)15-17-10-12-18(23-2)19(14-17)24-3/h5-10,12,14H,4,11,13,15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide has a molecular weight of 327.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 78808087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).