N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide

C16H24N2O3 — CID 108572937

IUPACN-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1c(C)cccc1C
InChIInChI=1S/C16H24N2O3/c1-12-6-4-7-13(2)16(12)21-11-5-8-15(20)18-10-9-17-14(3)19/h4,6-7H,5,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBLBZYVVIODPUIH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds8

About N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide

N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide (PubChem CID 108572937) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
PubChem CID108572937
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1c(C)cccc1C
InChIInChI=1S/C16H24N2O3/c1-12-6-4-7-13(2)16(12)21-11-5-8-15(20)18-10-9-17-14(3)19/h4,6-7H,5,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBLBZYVVIODPUIH-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
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-[2-[(2-chloroacetyl)amino]ethyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108572936
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
tert-butyl N-[3-[3-[4-(2,6-dimethylphenoxy)butanoylamino]propylamino]-3-oxopropyl]carbamate
CID 108921601
2-chloro-N-[2-[4-(2,6-dimethylphenoxy)butanoylamino]ethyl]-6-fluorobenzamide
CID 108541709
4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
CID 108572911
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide (CID 108572937) is N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide is CC(=O)NCCNC(=O)CCCOc1c(C)cccc1C.
What is the InChIKey of N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide?
The InChIKey is BLBZYVVIODPUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-4-7-13(2)16(12)21-11-5-8-15(20)18-10-9-17-14(3)19/h4,6-7H,5,8-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide?
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide is sourced from PubChem (CID 108572937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).