2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide

C14H22N2O2 — CID 43311872

IUPAC2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-8-16-9-12-4-6-13(7-5-12)18-10-11(2)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyYFXPNMUPTWQANT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds8

About 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide

2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide (PubChem CID 43311872) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
PubChem CID43311872
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-8-16-9-12-4-6-13(7-5-12)18-10-11(2)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyYFXPNMUPTWQANT-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311897
3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311867
3-methyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114249399
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N-[[4-(2,2-diethoxyethoxy)phenyl]methyl]propan-1-amine
CID 54572902
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
[4-(propylaminomethyl)phenyl]methyl carbamate
CID 175323121
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
methyl 2-[4-(propylaminomethyl)phenyl]propanoate
CID 143449140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide (CID 43311872) is 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide is CCCNCc1ccc(OCC(C)C(N)=O)cc1.
What is the InChIKey of 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is YFXPNMUPTWQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-8-16-9-12-4-6-13(7-5-12)18-10-11(2)14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide?
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43311872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).