N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide

C9H19NO3 — CID 103846128

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-13-6-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyKOANGIGRDSWHJH-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide (PubChem CID 103846128) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
PubChem CID103846128
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-13-6-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyKOANGIGRDSWHJH-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide (CID 103846128) is N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The InChIKey is KOANGIGRDSWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-13-6-8(12)10-9(2,3)7-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 103846128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).