N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide

C9H19NO4 — CID 104920690

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-4-14-5-8(13)10-9(2,6-11)7-12/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyFJDLKYXXGHHTMO-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.73
Rot. Bonds7

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide (PubChem CID 104920690) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
PubChem CID104920690
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(CO)CO
InChIInChI=1S/C9H19NO4/c1-3-4-14-5-8(13)10-9(2,6-11)7-12/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyFJDLKYXXGHHTMO-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide (CID 104920690) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
The InChIKey is FJDLKYXXGHHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-14-5-8(13)10-9(2,6-11)7-12/h11-12H,3-7H2,1-2H3,(H,10,13).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide has a molecular weight of 205.25 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 104920690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).