N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide

C16H25NO4 — CID 156721380

IUPACN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
SMILESCc1cc(C)c(C)c(C(=O)NCCOCCOCCO)c1
InChIInChI=1S/C16H25NO4/c1-12-10-13(2)14(3)15(11-12)16(19)17-4-6-20-8-9-21-7-5-18/h10-11,18H,4-9H2,1-3H3,(H,17,19)
InChIKeyQXKUGEZLBCFZBT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.37
Rot. Bonds9

About N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide (PubChem CID 156721380) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
PubChem CID156721380
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
SMILESCc1cc(C)c(C)c(C(=O)NCCOCCOCCO)c1
InChIInChI=1S/C16H25NO4/c1-12-10-13(2)14(3)15(11-12)16(19)17-4-6-20-8-9-21-7-5-18/h10-11,18H,4-9H2,1-3H3,(H,17,19)
InChIKeyQXKUGEZLBCFZBT-UHFFFAOYSA-N
XLogP1.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-trimethyl-N-propylbenzamide
CID 66873398
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 110022441
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide (CID 156721380) is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide is Cc1cc(C)c(C)c(C(=O)NCCOCCOCCO)c1.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide?
The InChIKey is QXKUGEZLBCFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12-10-13(2)14(3)15(11-12)16(19)17-4-6-20-8-9-21-7-5-18/h10-11,18H,4-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide?
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide is sourced from PubChem (CID 156721380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).