N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide

C14H22N2O2 — CID 82335715

IUPACN-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCCN
InChIInChI=1S/C14H22N2O2/c1-11-6-5-7-12(2)14(11)18-10-13(17)16-9-4-3-8-15/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,17)
InChIKeyIUDGKAIUGIDHBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds7

About N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide

N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 82335715) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID82335715
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCCN
InChIInChI=1S/C14H22N2O2/c1-11-6-5-7-12(2)14(11)18-10-13(17)16-9-4-3-8-15/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,17)
InChIKeyIUDGKAIUGIDHBA-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
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-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767552
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide (CID 82335715) is N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is IUDGKAIUGIDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-6-5-7-12(2)14(11)18-10-13(17)16-9-4-3-8-15/h5-7H,3-4,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 82335715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).