2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide

C15H24N2O3 — CID 62901536

IUPAC2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
SMILESCCCNCc1ccc(OC)cc1OC(CC)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-4-8-17-10-11-6-7-12(19-3)9-14(11)20-13(5-2)15(16)18/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H2,16,18)
InChIKeyYZYMXACMTOFRBH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds9

About 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide

2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide (PubChem CID 62901536) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
PubChem CID62901536
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
SMILESCCCNCc1ccc(OC)cc1OC(CC)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-4-8-17-10-11-6-7-12(19-3)9-14(11)20-13(5-2)15(16)18/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H2,16,18)
InChIKeyYZYMXACMTOFRBH-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
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-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide (CID 62901536) is 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide is CCCNCc1ccc(OC)cc1OC(CC)C(N)=O.
What is the InChIKey of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide?
The InChIKey is YZYMXACMTOFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-17-10-11-6-7-12(19-3)9-14(11)20-13(5-2)15(16)18/h6-7,9,13,17H,4-5,8,10H2,1-3H3,(H2,16,18).
What are the key properties of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide?
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 62901536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).