2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide

C16H26N2O2 — CID 63326072

IUPAC2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1CC(C)N
InChIInChI=1S/C16H26N2O2/c1-4-5-8-18-16(19)11-20-15-7-6-12(2)9-14(15)10-13(3)17/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3,(H,18,19)
InChIKeyXBLSMYBSRNAODS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide (PubChem CID 63326072) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
PubChem CID63326072
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1CC(C)N
InChIInChI=1S/C16H26N2O2/c1-4-5-8-18-16(19)11-20-15-7-6-12(2)9-14(15)10-13(3)17/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3,(H,18,19)
InChIKeyXBLSMYBSRNAODS-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide (CID 63326072) is 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(C)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide?
The InChIKey is XBLSMYBSRNAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-8-18-16(19)11-20-15-7-6-12(2)9-14(15)10-13(3)17/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide?
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide is sourced from PubChem (CID 63326072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).