2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide

C14H22N2O3 — CID 61485483

IUPAC2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(OC)ccc1CN
InChIInChI=1S/C14H22N2O3/c1-3-4-7-16-14(17)10-19-13-8-12(18-2)6-5-11(13)9-15/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZEIHUVMEEFVEPL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds8

About 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide

2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide (PubChem CID 61485483) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
PubChem CID61485483
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cc(OC)ccc1CN
InChIInChI=1S/C14H22N2O3/c1-3-4-7-16-14(17)10-19-13-8-12(18-2)6-5-11(13)9-15/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZEIHUVMEEFVEPL-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 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 ≤ 51.45
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-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486869
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 61268381
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide (CID 61485483) is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide is CCCCNC(=O)COc1cc(OC)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide?
The InChIKey is ZEIHUVMEEFVEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-4-7-16-14(17)10-19-13-8-12(18-2)6-5-11(13)9-15/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide?
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide is sourced from PubChem (CID 61485483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).