N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide

C15H24N2O3 — CID 61485632

IUPACN-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1cc(CNC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-5-8-17-15(18)11-20-14-9-12(10-16-2)6-7-13(14)19-3/h6-7,9,16H,4-5,8,10-11H2,1-3H3,(H,17,18)
InChIKeyFPNLJTCBZIKSOY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

About N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide

N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide (PubChem CID 61485632) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
PubChem CID61485632
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1cc(CNC)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-5-8-17-15(18)11-20-14-9-12(10-16-2)6-7-13(14)19-3/h6-7,9,16H,4-5,8,10-11H2,1-3H3,(H,17,18)
InChIKeyFPNLJTCBZIKSOY-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 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 ≤ 51.71
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

N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
N-(2-methoxyethyl)-2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 61487445
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 63045317
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide (CID 61485632) is N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide is CCCCNC(=O)COc1cc(CNC)ccc1OC.
What is the InChIKey of N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide?
The InChIKey is FPNLJTCBZIKSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-8-17-15(18)11-20-14-9-12(10-16-2)6-7-13(14)19-3/h6-7,9,16H,4-5,8,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide?
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 61485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).