N-(oxan-2-yloxy)hex-5-ynamide

C11H17NO3 — CID 163203741

IUPACN-(oxan-2-yloxy)hex-5-ynamide
SMILESC#CCCCC(=O)NOC1CCCCO1
InChIInChI=1S/C11H17NO3/c1-2-3-4-7-10(13)12-15-11-8-5-6-9-14-11/h1,11H,3-9H2,(H,12,13)
InChIKeyIBGVXAWWFMURFZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.36
Rot. Bonds5

About N-(oxan-2-yloxy)hex-5-ynamide

N-(oxan-2-yloxy)hex-5-ynamide (PubChem CID 163203741) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(oxan-2-yloxy)hex-5-ynamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)hex-5-ynamide
PubChem CID163203741
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(oxan-2-yloxy)hex-5-ynamide
SMILESC#CCCCC(=O)NOC1CCCCO1
InChIInChI=1S/C11H17NO3/c1-2-3-4-7-10(13)12-15-11-8-5-6-9-14-11/h1,11H,3-9H2,(H,12,13)
InChIKeyIBGVXAWWFMURFZ-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)hexanamide
CID 142707517
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 89073669
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
1-(oxan-2-yl)hex-5-yn-1-one
CID 115798623
(E)-8-(2-ethynyl-1,3-thiazol-4-yl)-N-(oxan-2-yloxy)oct-7-enamide
CID 171407278
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
2-hepta-1,6-diynoxyoxane
CID 167093418
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N'-(oxan-2-yloxy)octanediamide
CID 164771797

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)hex-5-ynamide?
The IUPAC name of N-(oxan-2-yloxy)hex-5-ynamide (CID 163203741) is N-(oxan-2-yloxy)hex-5-ynamide.
What is the SMILES notation for N-(oxan-2-yloxy)hex-5-ynamide?
The canonical SMILES for N-(oxan-2-yloxy)hex-5-ynamide is C#CCCCC(=O)NOC1CCCCO1.
What is the InChIKey of N-(oxan-2-yloxy)hex-5-ynamide?
The InChIKey is IBGVXAWWFMURFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-7-10(13)12-15-11-8-5-6-9-14-11/h1,11H,3-9H2,(H,12,13).
What are the key properties of N-(oxan-2-yloxy)hex-5-ynamide?
N-(oxan-2-yloxy)hex-5-ynamide has a molecular weight of 211.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)hex-5-ynamide is sourced from PubChem (CID 163203741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).