N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide

C19H31NO3S — CID 55686789

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)C(C)SC)cc1OCC
InChIInChI=1S/C19H31NO3S/c1-6-11-20(19(21)15(4)24-5)14-16-9-10-17(23-12-7-2)18(13-16)22-8-3/h9-10,13,15H,6-8,11-12,14H2,1-5H3
InChIKeyJMUXTXNDNNYZHT-UHFFFAOYSA-N
MW353.53 g/mol
LogP4.36
Rot. Bonds11

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide (PubChem CID 55686789) has the molecular formula C19H31NO3S and a molecular weight of 353.53 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
PubChem CID55686789
Molecular FormulaC19H31NO3S
Molecular Weight353.53 g/mol
Exact Mass353.20
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
SMILESCCCOc1ccc(CN(CCC)C(=O)C(C)SC)cc1OCC
InChIInChI=1S/C19H31NO3S/c1-6-11-20(19(21)15(4)24-5)14-16-9-10-17(23-12-7-2)18(13-16)22-8-3/h9-10,13,15H,6-8,11-12,14H2,1-5H3
InChIKeyJMUXTXNDNNYZHT-UHFFFAOYSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
CID 55876114
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55333044
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55876241
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide (CID 55686789) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide is CCCOc1ccc(CN(CCC)C(=O)C(C)SC)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide?
The InChIKey is JMUXTXNDNNYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3S/c1-6-11-20(19(21)15(4)24-5)14-16-9-10-17(23-12-7-2)18(13-16)22-8-3/h9-10,13,15H,6-8,11-12,14H2,1-5H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide?
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide has a molecular weight of 353.53 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide is sourced from PubChem (CID 55686789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).