N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide

C10H19NO5 — CID 103876916

IUPACN-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
SMILESCOCC(O)CCNC(=O)C1COCCO1
InChIInChI=1S/C10H19NO5/c1-14-6-8(12)2-3-11-10(13)9-7-15-4-5-16-9/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyUIKMXVBEXLVCND-UHFFFAOYSA-N
MW233.26 g/mol
LogP-1.08
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide (PubChem CID 103876916) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
PubChem CID103876916
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
SMILESCOCC(O)CCNC(=O)C1COCCO1
InChIInChI=1S/C10H19NO5/c1-14-6-8(12)2-3-11-10(13)9-7-15-4-5-16-9/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyUIKMXVBEXLVCND-UHFFFAOYSA-N
XLogP-1.08
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-4-methylpentyl)-1,4-dioxane-2-carboxamide
CID 106157418
N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
CID 66175400
N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 62657483
methyl 2-bromo-3-(1,4-dioxane-2-carbonylamino)propanoate
CID 103492404
N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
N-(6-chlorohexyl)-1,4-dioxane-2-carboxamide
CID 107847283
(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
CID 106247472

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide (CID 103876916) is N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide is COCC(O)CCNC(=O)C1COCCO1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide?
The InChIKey is UIKMXVBEXLVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-14-6-8(12)2-3-11-10(13)9-7-15-4-5-16-9/h8-9,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide has a molecular weight of 233.26 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 103876916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).