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

C18H23NO3S — CID 78808455

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccsc1
InChIInChI=1S/C18H23NO3S/c1-4-19(18(20)8-6-14-9-10-23-13-14)12-15-5-7-16(21-2)17(11-15)22-3/h5,7,9-11,13H,4,6,8,12H2,1-3H3
InChIKeyAYPDWYKUBIBDIO-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.75
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide (PubChem CID 78808455) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
PubChem CID78808455
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccsc1
InChIInChI=1S/C18H23NO3S/c1-4-19(18(20)8-6-14-9-10-23-13-14)12-15-5-7-16(21-2)17(11-15)22-3/h5,7,9-11,13H,4,6,8,12H2,1-3H3
InChIKeyAYPDWYKUBIBDIO-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
CID 5094204
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 30888512

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide (CID 78808455) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCc1ccsc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide?
The InChIKey is AYPDWYKUBIBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-19(18(20)8-6-14-9-10-23-13-14)12-15-5-7-16(21-2)17(11-15)22-3/h5,7,9-11,13H,4,6,8,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide has a molecular weight of 333.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 78808455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).