N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide

C8H17NO2 — CID 88555810

IUPACN-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(O)C(C)C
InChIInChI=1S/C8H17NO2/c1-5(2)7(10)9-8(11)6(3)4/h5-7,10H,1-4H3,(H,9,11)
InChIKeyGHZMNWHKCLBSAL-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds3

About N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide

N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide (PubChem CID 88555810) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
PubChem CID88555810
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(O)C(C)C
InChIInChI=1S/C8H17NO2/c1-5(2)7(10)9-8(11)6(3)4/h5-7,10H,1-4H3,(H,9,11)
InChIKeyGHZMNWHKCLBSAL-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
CID 15438826
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
CID 175635601
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
CID 167135190
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
CID 164772716
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide (CID 88555810) is N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide is CC(C)C(=O)NC(O)C(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide?
The InChIKey is GHZMNWHKCLBSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)7(10)9-8(11)6(3)4/h5-7,10H,1-4H3,(H,9,11).
What are the key properties of N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide?
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide is sourced from PubChem (CID 88555810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).