5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide

C10H18ClNO3 — CID 61023950

IUPAC5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCC1COCCO1
InChIInChI=1S/C10H18ClNO3/c11-4-2-1-3-10(13)12-7-9-8-14-5-6-15-9/h9H,1-8H2,(H,12,13)
InChIKeyKPZXYQJSBAWIFE-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.93
Rot. Bonds6

About 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide

5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide (PubChem CID 61023950) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
PubChem CID61023950
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCC1COCCO1
InChIInChI=1S/C10H18ClNO3/c11-4-2-1-3-10(13)12-7-9-8-14-5-6-15-9/h9H,1-8H2,(H,12,13)
InChIKeyKPZXYQJSBAWIFE-UHFFFAOYSA-N
XLogP0.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-1,4-dioxan-2-yl]methyl]pentanamide
CID 177993451
5-chloro-N-(oxan-2-ylmethyl)pentanamide
CID 13047511
5-chloro-N-(2-methoxyethyl)pentanamide
CID 28733251
5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide
CID 43346878
5-chloro-N-(2-ethoxyethyl)pentanamide
CID 43591215
3-chloro-N-(1,4-dioxan-2-ylmethyl)propanamide
CID 61023821
N-(2-butoxyethyl)-5-chloropentanamide
CID 61177209
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 61250958
5-chloro-N-[3-(2-methoxyethoxy)propyl]pentanamide
CID 61251172
5-chloro-N-(3-propan-2-yloxypropyl)pentanamide
CID 61251405
5-chloro-N-[2-(2-methoxyethoxy)ethyl]pentanamide
CID 61849374
3-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 62726842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide?
The IUPAC name of 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide (CID 61023950) is 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide is O=C(CCCCCl)NCC1COCCO1.
What is the InChIKey of 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide?
The InChIKey is KPZXYQJSBAWIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c11-4-2-1-3-10(13)12-7-9-8-14-5-6-15-9/h9H,1-8H2,(H,12,13).
What are the key properties of 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide?
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide has a molecular weight of 235.71 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide is sourced from PubChem (CID 61023950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).