N-(2-aminobutyl)-1,4-dioxane-2-carboxamide

C9H18N2O3 — CID 63733447

IUPACN-(2-aminobutyl)-1,4-dioxane-2-carboxamide
SMILESCCC(N)CNC(=O)C1COCCO1
InChIInChI=1S/C9H18N2O3/c1-2-7(10)5-11-9(12)8-6-13-3-4-14-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFVOWZKTZQJQSAL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-aminobutyl)-1,4-dioxane-2-carboxamide

N-(2-aminobutyl)-1,4-dioxane-2-carboxamide (PubChem CID 63733447) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2-aminobutyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-1,4-dioxane-2-carboxamide
PubChem CID63733447
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2-aminobutyl)-1,4-dioxane-2-carboxamide
SMILESCCC(N)CNC(=O)C1COCCO1
InChIInChI=1S/C9H18N2O3/c1-2-7(10)5-11-9(12)8-6-13-3-4-14-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFVOWZKTZQJQSAL-UHFFFAOYSA-N
XLogP-0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
CID 63766496
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
methyl 2-bromo-3-(1,4-dioxane-2-carbonylamino)propanoate
CID 103492404
N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
CID 66175400
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 62657483
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-[2-(4-aminophenyl)-2-hydroxyethyl]-1,4-dioxane-2-carboxamide
CID 62798499
N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
CID 79028059
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-1,4-dioxane-2-carboxamide (CID 63733447) is N-(2-aminobutyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-1,4-dioxane-2-carboxamide is CCC(N)CNC(=O)C1COCCO1.
What is the InChIKey of N-(2-aminobutyl)-1,4-dioxane-2-carboxamide?
The InChIKey is FVOWZKTZQJQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-7(10)5-11-9(12)8-6-13-3-4-14-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminobutyl)-1,4-dioxane-2-carboxamide?
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 63733447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).