3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide

C13H20N2O3 — CID 43400395

IUPAC3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(OC)c(C(C)NCCC(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-9(15-7-6-13(14)16)11-8-10(17-2)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyJLLFAJBORIFKOE-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds7

About 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide

3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide (PubChem CID 43400395) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
PubChem CID43400395
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(OC)c(C(C)NCCC(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-9(15-7-6-13(14)16)11-8-10(17-2)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyJLLFAJBORIFKOE-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[1-(2,5-dimethoxyphenyl)ethyl]hex-5-yn-1-amine
CID 103903654
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide (CID 43400395) is 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide is COc1ccc(OC)c(C(C)NCCC(N)=O)c1.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide?
The InChIKey is JLLFAJBORIFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(15-7-6-13(14)16)11-8-10(17-2)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16).
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide?
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43400395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).