N-[2-(4-hydroxybutoxy)ethyl]propanamide

C9H19NO3 — CID 58493145

IUPACN-[2-(4-hydroxybutoxy)ethyl]propanamide
SMILESCCC(=O)NCCOCCCCO
InChIInChI=1S/C9H19NO3/c1-2-9(12)10-5-8-13-7-4-3-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyCURNIVWEEKYCPG-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds8

About N-[2-(4-hydroxybutoxy)ethyl]propanamide

N-[2-(4-hydroxybutoxy)ethyl]propanamide (PubChem CID 58493145) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[2-(4-hydroxybutoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybutoxy)ethyl]propanamide
PubChem CID58493145
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[2-(4-hydroxybutoxy)ethyl]propanamide
SMILESCCC(=O)NCCOCCCCO
InChIInChI=1S/C9H19NO3/c1-2-9(12)10-5-8-13-7-4-3-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyCURNIVWEEKYCPG-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
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-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-(5-ethoxypentyl)propanamide
CID 91349564
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybutoxy)ethyl]propanamide?
The IUPAC name of N-[2-(4-hydroxybutoxy)ethyl]propanamide (CID 58493145) is N-[2-(4-hydroxybutoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-hydroxybutoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(4-hydroxybutoxy)ethyl]propanamide is CCC(=O)NCCOCCCCO.
What is the InChIKey of N-[2-(4-hydroxybutoxy)ethyl]propanamide?
The InChIKey is CURNIVWEEKYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-9(12)10-5-8-13-7-4-3-6-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of N-[2-(4-hydroxybutoxy)ethyl]propanamide?
N-[2-(4-hydroxybutoxy)ethyl]propanamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybutoxy)ethyl]propanamide is sourced from PubChem (CID 58493145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).