N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide

C17H28N2O3 — CID 119643560

IUPACN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-5-17(18,6-2)12-19-16(20)10-8-13-7-9-14(21-3)15(11-13)22-4/h7,9,11H,5-6,8,10,12,18H2,1-4H3,(H,19,20)
InChIKeyUODZTTUJVZLWCG-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.27
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 119643560) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID119643560
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-5-17(18,6-2)12-19-16(20)10-8-13-7-9-14(21-3)15(11-13)22-4/h7,9,11H,5-6,8,10,12,18H2,1-4H3,(H,19,20)
InChIKeyUODZTTUJVZLWCG-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119642284
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 119643560) is N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide is CCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is UODZTTUJVZLWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-17(18,6-2)12-19-16(20)10-8-13-7-9-14(21-3)15(11-13)22-4/h7,9,11H,5-6,8,10,12,18H2,1-4H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 308.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 119643560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).