3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide

C9H19NO3 — CID 65109921

IUPAC3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCOCCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-8(11)10-7-9(2,3)12/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyARNLJNMVRKCZJP-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide

3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65109921) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65109921
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCOCCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-8(11)10-7-9(2,3)12/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyARNLJNMVRKCZJP-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-ethoxy-N-ethylpropanamide
CID 58030283
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
CID 95769073
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
2-[2-(3-ethoxypropanoylamino)acetyl]oxy-2-ethylbutanoic acid
CID 121320947
(2R)-N-[2-(3-ethoxypropanoylamino)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 121329384
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65109921) is 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide is CCOCCC(=O)NCC(C)(C)O.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is ARNLJNMVRKCZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-6-5-8(11)10-7-9(2,3)12/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide?
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65109921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).