N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide

C10H19NO2 — CID 139908446

IUPACN-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(C)(C)CO
InChIInChI=1S/C10H19NO2/c1-7(2)9(13)11-8(3)10(4,5)6-12/h8,12H,1,6H2,2-5H3,(H,11,13)
InChIKeyQWFGEBPYOWVIOE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds4

About N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide

N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide (PubChem CID 139908446) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide
PubChem CID139908446
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(C)(C)CO
InChIInChI=1S/C10H19NO2/c1-7(2)9(13)11-8(3)10(4,5)6-12/h8,12H,1,6H2,2-5H3,(H,11,13)
InChIKeyQWFGEBPYOWVIOE-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
N-(4-hydroxybutyl)-2-methyl-2-propenamide
CID 18967950
N-[(2R)-1-hydroxybutan-2-yl]-2-methylprop-2-enamide
CID 15442908
N-(3-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 13531437
N-(1-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 17809090
N-[3-(dimethylamino)-3-hydroxypropyl]-2-methylprop-2-enamide
CID 17895318
N-[3-hydroxy-3-(pentan-3-ylamino)propyl]-2-methylprop-2-enamide
CID 18947363
N-(1,4-dihydroxybutan-2-yl)-2-methylprop-2-enamide
CID 19798956
N-(1-hydroxypentan-2-yl)-2-methylprop-2-enamide
CID 20469412
N-(1-hydroxybutyl)-2-methylprop-2-enamide
CID 22660425
N-[2,2-bis(hydroxymethyl)butyl]-2-methylprop-2-enamide
CID 22892555

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide (CID 139908446) is N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C(C)(C)CO.
What is the InChIKey of N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide?
The InChIKey is QWFGEBPYOWVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9(13)11-8(3)10(4,5)6-12/h8,12H,1,6H2,2-5H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide?
N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethylbutan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 139908446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).