2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide

C16H26N2O2 — CID 61485616

IUPAC2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-20-15-8-6-13(7-9-15)11-14(17)4-2/h6-9,14H,3-5,10-12,17H2,1-2H3,(H,18,19)
InChIKeyXXRXSXYMXJUJFZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds9

About 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide

2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide (PubChem CID 61485616) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
PubChem CID61485616
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-20-15-8-6-13(7-9-15)11-14(17)4-2/h6-9,14H,3-5,10-12,17H2,1-2H3,(H,18,19)
InChIKeyXXRXSXYMXJUJFZ-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
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

N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide?
The IUPAC name of 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide (CID 61485616) is 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide?
The canonical SMILES for 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(CC(N)CC)cc1.
What is the InChIKey of 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide?
The InChIKey is XXRXSXYMXJUJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-20-15-8-6-13(7-9-15)11-14(17)4-2/h6-9,14H,3-5,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide?
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide is sourced from PubChem (CID 61485616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).