N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide

C10H19NO3 — CID 77024317

IUPACN-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(O)COC
InChIInChI=1S/C10H19NO3/c1-4-5-8(2)10(13)11-6-9(12)7-14-3/h5,9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyMXSVUQOZYAZMJM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.47
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide

N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide (PubChem CID 77024317) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide
PubChem CID77024317
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(O)COC
InChIInChI=1S/C10H19NO3/c1-4-5-8(2)10(13)11-6-9(12)7-14-3/h5,9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyMXSVUQOZYAZMJM-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide (CID 77024317) is N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide?
The InChIKey is MXSVUQOZYAZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-8(2)10(13)11-6-9(12)7-14-3/h5,9,12H,4,6-7H2,1-3H3,(H,11,13).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide?
N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-methylpent-2-enamide is sourced from PubChem (CID 77024317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).