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

C16H26N2O3 — CID 43278181

IUPAC2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-9-18-11-13-7-8-14(15(10-13)20-6-2)21-12(3)16(19)17-4/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyHIBHMTMSIJDANH-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds9

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

2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 43278181) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID43278181
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-9-18-11-13-7-8-14(15(10-13)20-6-2)21-12(3)16(19)17-4/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyHIBHMTMSIJDANH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311897
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 60882028
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N-[(4-butan-2-yloxy-3-ethoxyphenyl)methyl]butan-1-amine
CID 132649786
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide (CID 43278181) is 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide is CCCNCc1ccc(OC(C)C(=O)NC)c(OCC)c1.
What is the InChIKey of 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is HIBHMTMSIJDANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-18-11-13-7-8-14(15(10-13)20-6-2)21-12(3)16(19)17-4/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 43278181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).