2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide

C16H26N2O3 — CID 43087369

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(19)12(2)17-10-8-13-6-7-14(20-3)15(11-13)21-4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyATZRPHUOFKSXSG-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.75
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide (PubChem CID 43087369) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
PubChem CID43087369
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(19)12(2)17-10-8-13-6-7-14(20-3)15(11-13)21-4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyATZRPHUOFKSXSG-UHFFFAOYSA-N
XLogP1.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(propan-2-ylsulfinylamino)butanamide
CID 67569262
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
CID 142207459
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetate
CID 10345147
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide (CID 43087369) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide?
The InChIKey is ATZRPHUOFKSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-18-16(19)12(2)17-10-8-13-6-7-14(20-3)15(11-13)21-4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).