N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide

C9H19NO3 — CID 104981240

IUPACN-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
SMILESCC[C@@H](CO)NC(=O)CCCOC
InChIInChI=1S/C9H19NO3/c1-3-8(7-11)10-9(12)5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyDDRYZLCEBOVXGQ-QMMMGPOBSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide

N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide (PubChem CID 104981240) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
PubChem CID104981240
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
SMILESCC[C@@H](CO)NC(=O)CCCOC
InChIInChI=1S/C9H19NO3/c1-3-8(7-11)10-9(12)5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyDDRYZLCEBOVXGQ-QMMMGPOBSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
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]-2-(2-methoxyethoxy)acetamide
CID 103920046
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43427721
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
3-(4-methoxybutanoylamino)-5,5-dimethylhexanoic acid
CID 113496760
N-(1-cyanobutyl)-4-methoxybutanamide
CID 78917905
N-[(2R)-1-hydroxybutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103919727

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide (CID 104981240) is N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide is CC[C@@H](CO)NC(=O)CCCOC.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide?
The InChIKey is DDRYZLCEBOVXGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-8(7-11)10-9(12)5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide?
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide is sourced from PubChem (CID 104981240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).