4-hydroxy-N-(1-methoxypropan-2-yl)butanamide

C8H17NO3 — CID 79203219

IUPAC4-hydroxy-N-(1-methoxypropan-2-yl)butanamide
SMILESCOCC(C)NC(=O)CCCO
InChIInChI=1S/C8H17NO3/c1-7(6-12-2)9-8(11)4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyUIRMHXSUAWQATN-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds6

About 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide

4-hydroxy-N-(1-methoxypropan-2-yl)butanamide (PubChem CID 79203219) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methoxypropan-2-yl)butanamide
PubChem CID79203219
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-hydroxy-N-(1-methoxypropan-2-yl)butanamide
SMILESCOCC(C)NC(=O)CCCO
InChIInChI=1S/C8H17NO3/c1-7(6-12-2)9-8(11)4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyUIRMHXSUAWQATN-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide (CID 79203219) is 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide is COCC(C)NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide?
The InChIKey is UIRMHXSUAWQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(6-12-2)9-8(11)4-3-5-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide?
4-hydroxy-N-(1-methoxypropan-2-yl)butanamide has a molecular weight of 175.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methoxypropan-2-yl)butanamide is sourced from PubChem (CID 79203219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).