2-(oxan-2-yl)-N-pentylacetamide

C12H23NO2 — CID 110415818

IUPAC2-(oxan-2-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CCCCO1
InChIInChI=1S/C12H23NO2/c1-2-3-5-8-13-12(14)10-11-7-4-6-9-15-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyYHXIGOFDNVRXNP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds6

About 2-(oxan-2-yl)-N-pentylacetamide

2-(oxan-2-yl)-N-pentylacetamide (PubChem CID 110415818) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-pentylacetamide
PubChem CID110415818
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(oxan-2-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CCCCO1
InChIInChI=1S/C12H23NO2/c1-2-3-5-8-13-12(14)10-11-7-4-6-9-15-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyYHXIGOFDNVRXNP-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(4-azidobutyl)-2-(oxan-2-yl)acetamide
CID 106386601
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
CID 110628016
2-cyclohexyl-N-octylacetamide
CID 3547359
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
CID 106157924
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-ethyl-2-(oxetan-2-yl)acetamide
CID 146215054

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-pentylacetamide?
The IUPAC name of 2-(oxan-2-yl)-N-pentylacetamide (CID 110415818) is 2-(oxan-2-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-pentylacetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-pentylacetamide is CCCCCNC(=O)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-N-pentylacetamide?
The InChIKey is YHXIGOFDNVRXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-5-8-13-12(14)10-11-7-4-6-9-15-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of 2-(oxan-2-yl)-N-pentylacetamide?
2-(oxan-2-yl)-N-pentylacetamide has a molecular weight of 213.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-pentylacetamide is sourced from PubChem (CID 110415818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).