2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide

C14H22N2O3 — CID 61268168

IUPAC2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1ccc(OC)cc1OCC(=O)NC
InChIInChI=1S/C14H22N2O3/c1-4-7-16-9-11-5-6-12(18-3)8-13(11)19-10-14(17)15-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,15,17)
InChIKeyYNFZLHCRPXMPPH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds8

About 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide

2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 61268168) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID61268168
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1ccc(OC)cc1OCC(=O)NC
InChIInChI=1S/C14H22N2O3/c1-4-7-16-9-11-5-6-12(18-3)8-13(11)19-10-14(17)15-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,15,17)
InChIKeyYNFZLHCRPXMPPH-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
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-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide (CID 61268168) is 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide is CCCNCc1ccc(OC)cc1OCC(=O)NC.
What is the InChIKey of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is YNFZLHCRPXMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-7-16-9-11-5-6-12(18-3)8-13(11)19-10-14(17)15-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 8 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]-N-methylacetamide is sourced from PubChem (CID 61268168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).