N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide

C9H19NO3 — CID 103920021

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
SMILESCC[C@H](CO)NC(=O)COC(C)C
InChIInChI=1S/C9H19NO3/c1-4-8(5-11)10-9(12)6-13-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyAOEINZCTUOCAJG-MRVPVSSYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide

N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide (PubChem CID 103920021) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
PubChem CID103920021
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
SMILESCC[C@H](CO)NC(=O)COC(C)C
InChIInChI=1S/C9H19NO3/c1-4-8(5-11)10-9(12)6-13-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyAOEINZCTUOCAJG-MRVPVSSYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
CID 115647124
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
2-[1-(methylamino)propan-2-yloxy]-N-pentan-3-ylacetamide
CID 62335704
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
CID 65314889
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide (CID 103920021) is N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide is CC[C@H](CO)NC(=O)COC(C)C.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide?
The InChIKey is AOEINZCTUOCAJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-8(5-11)10-9(12)6-13-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 103920021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).