3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide

C16H26N2O3 — CID 43311897

IUPAC3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-8-18-10-13-6-7-14(15(9-13)20-5-2)21-11-12(3)16(17)19/h6-7,9,12,18H,4-5,8,10-11H2,1-3H3,(H2,17,19)
InChIKeyKOWFSWSLHQDLOE-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.09
Rot. Bonds10

About 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide

3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide (PubChem CID 43311897) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
PubChem CID43311897
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-8-18-10-13-6-7-14(15(9-13)20-5-2)21-11-12(3)16(17)19/h6-7,9,12,18H,4-5,8,10-11H2,1-3H3,(H2,17,19)
InChIKeyKOWFSWSLHQDLOE-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311896
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311867
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 60882028
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide (CID 43311897) is 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide is CCCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1.
What is the InChIKey of 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
The InChIKey is KOWFSWSLHQDLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-8-18-10-13-6-7-14(15(9-13)20-5-2)21-11-12(3)16(17)19/h6-7,9,12,18H,4-5,8,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide?
3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 43311897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).