N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide

C14H27NO4 — CID 18690233

IUPACN-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(OCCCC)OCCCC
InChIInChI=1S/C14H27NO4/c1-5-7-9-18-14(19-10-8-6-2)13(17)15-12(16)11(3)4/h13-14,17H,3,5-10H2,1-2,4H3,(H,15,16)
InChIKeyJEMGROUJSKACAT-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.96
Rot. Bonds11

About N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide

N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 18690233) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID18690233
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC NameN-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(OCCCC)OCCCC
InChIInChI=1S/C14H27NO4/c1-5-7-9-18-14(19-10-8-6-2)13(17)15-12(16)11(3)4/h13-14,17H,3,5-10H2,1-2,4H3,(H,15,16)
InChIKeyJEMGROUJSKACAT-UHFFFAOYSA-N
XLogP1.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide (CID 18690233) is N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)C(OCCCC)OCCCC.
What is the InChIKey of N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is JEMGROUJSKACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-7-9-18-14(19-10-8-6-2)13(17)15-12(16)11(3)4/h13-14,17H,3,5-10H2,1-2,4H3,(H,15,16).
What are the key properties of N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide?
N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 273.37 g/mol, XLogP of 1.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18690233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).