N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide

C15H22N2O3 — CID 38448955

IUPACN-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCC(=O)NCCCNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-11-6-4-7-12(2)15(11)20-10-14(19)17-9-5-8-16-13(3)18/h4,6-7H,5,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJIWNXFFTKBTNSI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds7

About N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide

N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 38448955) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID38448955
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCC(=O)NCCCNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H22N2O3/c1-11-6-4-7-12(2)15(11)20-10-14(19)17-9-5-8-16-13(3)18/h4,6-7H,5,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJIWNXFFTKBTNSI-UHFFFAOYSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
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-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
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
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
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-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide (CID 38448955) is N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide is CC(=O)NCCCNC(=O)COc1c(C)cccc1C.
What is the InChIKey of N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is JIWNXFFTKBTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-4-7-12(2)15(11)20-10-14(19)17-9-5-8-16-13(3)18/h4,6-7H,5,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 38448955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).