N-(4-hydroxy-2-methylbutyl)prop-2-enamide

C8H15NO2 — CID 66092480

IUPACN-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)CCO
InChIInChI=1S/C8H15NO2/c1-3-8(11)9-6-7(2)4-5-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyBVXKHSJXJPDIFB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)prop-2-enamide

N-(4-hydroxy-2-methylbutyl)prop-2-enamide (PubChem CID 66092480) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)prop-2-enamide
PubChem CID66092480
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)CCO
InChIInChI=1S/C8H15NO2/c1-3-8(11)9-6-7(2)4-5-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyBVXKHSJXJPDIFB-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
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

(E)-N-(4-hydroxybutyl)-3-methylsulfanylprop-2-enamide
CID 101844314
N-(4-hydroxybutyl)-3-methylsulfanylprop-2-enamide
CID 163075147
N-acryloyl amino butanol
CID 18433899
Acryloylaminopropanol
CID 22015253
N-acryloyl amino pentanol
CID 88006897
N-(4-hydroxybutyl)-2-methyl-2-propenamide
CID 18967950
4-hydroxy-2-methyl-N-prop-2-enylbutanamide
CID 135038066
N-(4-methoxybutyl)prop-2-enamide
CID 13587536
N-(1-hydroxy-2,2-dimethylpropyl)prop-2-enamide
CID 17809089
n-(4-Hydroxybutyl)acrylamide
CID 18986393
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]prop-2-enamide
CID 23569842
N-(1,3-dihydroxy-2-methylpropyl)prop-2-enamide
CID 53807533

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)prop-2-enamide (CID 66092480) is N-(4-hydroxy-2-methylbutyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)prop-2-enamide is C=CC(=O)NCC(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The InChIKey is BVXKHSJXJPDIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(11)9-6-7(2)4-5-10/h3,7,10H,1,4-6H2,2H3,(H,9,11).
What are the key properties of N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
N-(4-hydroxy-2-methylbutyl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)prop-2-enamide is sourced from PubChem (CID 66092480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).