N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide

C14H21NO4 — CID 55023975

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCOCCO)c1
InChIInChI=1S/C14H21NO4/c1-12-3-2-4-13(11-12)19-8-5-14(17)15-6-9-18-10-7-16/h2-4,11,16H,5-10H2,1H3,(H,15,17)
InChIKeyLHGZFOYKEJJYDJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.89
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide

N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 55023975) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
PubChem CID55023975
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCOCCO)c1
InChIInChI=1S/C14H21NO4/c1-12-3-2-4-13(11-12)19-8-5-14(17)15-6-9-18-10-7-16/h2-4,11,16H,5-10H2,1H3,(H,15,17)
InChIKeyLHGZFOYKEJJYDJ-UHFFFAOYSA-N
XLogP0.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.89
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

N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
4-(3,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]-4-oxobutanamide
CID 9224216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide (CID 55023975) is N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCCOCCO)c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is LHGZFOYKEJJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-12-3-2-4-13(11-12)19-8-5-14(17)15-6-9-18-10-7-16/h2-4,11,16H,5-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 267.32 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 55023975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).