N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide

C10H20N2O3 — CID 62657483

IUPACN-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
SMILESCCCNCCNC(=O)C1COCCO1
InChIInChI=1S/C10H20N2O3/c1-2-3-11-4-5-12-10(13)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFMWOKTQSFFVUQX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.48
Rot. Bonds6

About N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide

N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide (PubChem CID 62657483) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
PubChem CID62657483
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide
SMILESCCCNCCNC(=O)C1COCCO1
InChIInChI=1S/C10H20N2O3/c1-2-3-11-4-5-12-10(13)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFMWOKTQSFFVUQX-UHFFFAOYSA-N
XLogP-0.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447
N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 81424330
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
N-(6-chlorohexyl)-1,4-dioxane-2-carboxamide
CID 107847283
N-(4-azidobutyl)-1,4-dioxane-2-carboxamide
CID 106386429
N-(5-bromo-4-methylpentyl)-1,4-dioxane-2-carboxamide
CID 106157418
N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
CID 103876916
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide (CID 62657483) is N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide is CCCNCCNC(=O)C1COCCO1.
What is the InChIKey of N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide?
The InChIKey is FMWOKTQSFFVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-11-4-5-12-10(13)9-8-14-6-7-15-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide?
N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 62657483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).