4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide

C10H21NO3 — CID 112728067

IUPAC4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCOCCCC(=O)NC(CC)CO
InChIInChI=1S/C10H21NO3/c1-3-9(8-12)11-10(13)6-5-7-14-4-2/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyYNPKZOSMYSZFHV-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds8

About 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide

4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide (PubChem CID 112728067) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
PubChem CID112728067
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCOCCCC(=O)NC(CC)CO
InChIInChI=1S/C10H21NO3/c1-3-9(8-12)11-10(13)6-5-7-14-4-2/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyYNPKZOSMYSZFHV-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
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-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
CID 95286665
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide (CID 112728067) is 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide is CCOCCCC(=O)NC(CC)CO.
What is the InChIKey of 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide?
The InChIKey is YNPKZOSMYSZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-9(8-12)11-10(13)6-5-7-14-4-2/h9,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide?
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide has a molecular weight of 203.28 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 112728067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).