2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C18H30N2O4 — CID 34600439

IUPAC2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCCN(CCC)CC(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H30N2O4/c1-6-8-20(9-7-2)13-18(21)19-12-14-10-16(23-4)17(24-5)11-15(14)22-3/h10-11H,6-9,12-13H2,1-5H3,(H,19,21)
InChIKeyZPFVCHOBYFAUTG-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.45
Rot. Bonds11

About 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34600439) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34600439
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCCN(CCC)CC(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H30N2O4/c1-6-8-20(9-7-2)13-18(21)19-12-14-10-16(23-4)17(24-5)11-15(14)22-3/h10-11H,6-9,12-13H2,1-5H3,(H,19,21)
InChIKeyZPFVCHOBYFAUTG-UHFFFAOYSA-N
XLogP2.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34620482
2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 86964320
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627196
3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46446575
2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18145118
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 34600439) is 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is CCCN(CCC)CC(=O)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is ZPFVCHOBYFAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-6-8-20(9-7-2)13-18(21)19-12-14-10-16(23-4)17(24-5)11-15(14)22-3/h10-11H,6-9,12-13H2,1-5H3,(H,19,21).
What are the key properties of 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34600439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).