N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide

C9H19NO3 — CID 79252546

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H19NO3/c1-7(2)8(6-11)10-9(12)4-5-13-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyZROFWDRHHRUOOL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.16
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide (PubChem CID 79252546) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
PubChem CID79252546
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C9H19NO3/c1-7(2)8(6-11)10-9(12)4-5-13-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyZROFWDRHHRUOOL-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 79208953
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
CID 71993281
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
CID 79252567
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide (CID 79252546) is N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide is COCCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide?
The InChIKey is ZROFWDRHHRUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)8(6-11)10-9(12)4-5-13-3/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide has a molecular weight of 189.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide is sourced from PubChem (CID 79252546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).