N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide

C13H19NO4 — CID 60654485

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCOCCO
InChIInChI=1S/C13H19NO4/c15-8-11-17-10-7-14-13(16)6-9-18-12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,16)
InChIKeySHTWWHXZRLLBBL-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.58
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide

N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide (PubChem CID 60654485) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
PubChem CID60654485
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCOCCO
InChIInChI=1S/C13H19NO4/c15-8-11-17-10-7-14-13(16)6-9-18-12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,16)
InChIKeySHTWWHXZRLLBBL-UHFFFAOYSA-N
XLogP0.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.58
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-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
CID 108888910
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide
CID 138744280
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide (CID 60654485) is N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide?
The InChIKey is SHTWWHXZRLLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-8-11-17-10-7-14-13(16)6-9-18-12-4-2-1-3-5-12/h1-5,15H,6-11H2,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide has a molecular weight of 253.30 g/mol, XLogP of 0.58, 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-phenoxypropanamide is sourced from PubChem (CID 60654485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).