3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

C12H25NO3 — CID 66179484

IUPAC3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCCOCCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H25NO3/c1-5-16-7-6-11(14)13-9-12(4,15)8-10(2)3/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeyJPTJPDNMGFDCHB-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds8

About 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide

3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (PubChem CID 66179484) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
PubChem CID66179484
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
SMILESCCOCCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H25NO3/c1-5-16-7-6-11(14)13-9-12(4,15)8-10(2)3/h10,15H,5-9H2,1-4H3,(H,13,14)
InChIKeyJPTJPDNMGFDCHB-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
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

3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
CID 95769073
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 66179365
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
3-ethoxy-N-ethylpropanamide
CID 58030283
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide (CID 66179484) is 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide is CCOCCC(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
The InChIKey is JPTJPDNMGFDCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-16-7-6-11(14)13-9-12(4,15)8-10(2)3/h10,15H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide?
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide has a molecular weight of 231.34 g/mol, XLogP of 1.33, 8 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-2,4-dimethylpentyl)propanamide is sourced from PubChem (CID 66179484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).