N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide

C14H22N2O2 — CID 83969246

IUPACN-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
SMILESCCN(CCCCN)C(=O)COc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-7-6-10-15)14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,15H2,1H3
InChIKeyMGXIHVFALRTVHR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.65
Rot. Bonds8

About N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide

N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide (PubChem CID 83969246) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
PubChem CID83969246
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
SMILESCCN(CCCCN)C(=O)COc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-7-6-10-15)14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,15H2,1H3
InChIKeyMGXIHVFALRTVHR-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide?
The IUPAC name of N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide (CID 83969246) is N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide.
What is the SMILES notation for N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide?
The canonical SMILES for N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide is CCN(CCCCN)C(=O)COc1ccccc1.
What is the InChIKey of N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide?
The InChIKey is MGXIHVFALRTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16(11-7-6-10-15)14(17)12-18-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,15H2,1H3.
What are the key properties of N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide?
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide is sourced from PubChem (CID 83969246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).