2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide

C15H24N2O3 — CID 62899820

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

About 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide

2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide (PubChem CID 62899820) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
PubChem CID62899820
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
SMILESCCCNCc1ccc(OC(CC)C(N)=O)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-8-17-10-11-6-7-13(14(9-11)19-3)20-12(5-2)15(16)18/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H2,16,18)
InChIKeyALBRTPPVXHRDFY-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

ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
CID 107689312
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
CID 64669906
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide (CID 62899820) is 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide is CCCNCc1ccc(OC(CC)C(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide?
The InChIKey is ALBRTPPVXHRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-17-10-11-6-7-13(14(9-11)19-3)20-12(5-2)15(16)18/h6-7,9,12,17H,4-5,8,10H2,1-3H3,(H2,16,18).
What are the key properties of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide?
2-[2-methoxy-4-(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-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 62899820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).