2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide

C12H23NO5 — CID 123237284

IUPAC2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide
SMILESCCC(OC)C1COC(CNC(=O)C(C)O)CO1
InChIInChI=1S/C12H23NO5/c1-4-10(16-3)11-7-17-9(6-18-11)5-13-12(15)8(2)14/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZYPCEXKRFUSAFZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.31
Rot. Bonds6

About 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide

2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide (PubChem CID 123237284) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide
PubChem CID123237284
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide
SMILESCCC(OC)C1COC(CNC(=O)C(C)O)CO1
InChIInChI=1S/C12H23NO5/c1-4-10(16-3)11-7-17-9(6-18-11)5-13-12(15)8(2)14/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZYPCEXKRFUSAFZ-UHFFFAOYSA-N
XLogP-0.31
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
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N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
(2R)-2-hydroxy-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 130643410
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
CID 97180818
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide?
The IUPAC name of 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide (CID 123237284) is 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide is CCC(OC)C1COC(CNC(=O)C(C)O)CO1.
What is the InChIKey of 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide?
The InChIKey is ZYPCEXKRFUSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-4-10(16-3)11-7-17-9(6-18-11)5-13-12(15)8(2)14/h8-11,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide?
2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[5-(1-methoxypropyl)-1,4-dioxan-2-yl]methyl]propanamide is sourced from PubChem (CID 123237284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).