N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide

C10H19NO3 — CID 170203410

IUPACN-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide
SMILESC=C(O)CC(O)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)6-8(13)9(14)11(5)10(2,3)4/h8,12-13H,1,6H2,2-5H3
InChIKeyUOHRDWQLWWZVGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.07
Rot. Bonds3

About N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide

N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide (PubChem CID 170203410) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide
PubChem CID170203410
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide
SMILESC=C(O)CC(O)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)6-8(13)9(14)11(5)10(2,3)4/h8,12-13H,1,6H2,2-5H3
InChIKeyUOHRDWQLWWZVGP-UHFFFAOYSA-N
XLogP1.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide?
The IUPAC name of N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide (CID 170203410) is N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide?
The canonical SMILES for N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide is C=C(O)CC(O)C(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide?
The InChIKey is UOHRDWQLWWZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)6-8(13)9(14)11(5)10(2,3)4/h8,12-13H,1,6H2,2-5H3.
What are the key properties of N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide?
N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide has a molecular weight of 201.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide is sourced from PubChem (CID 170203410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).