N-[4-(hydroxymethyl)oxan-4-yl]hexanamide

C12H23NO3 — CID 103954092

IUPACN-[4-(hydroxymethyl)oxan-4-yl]hexanamide
SMILESCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-11(15)13-12(10-14)6-8-16-9-7-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyPEWKHXNWRWHDRZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]hexanamide

N-[4-(hydroxymethyl)oxan-4-yl]hexanamide (PubChem CID 103954092) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]hexanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]hexanamide
PubChem CID103954092
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]hexanamide
SMILESCCCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-11(15)13-12(10-14)6-8-16-9-7-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyPEWKHXNWRWHDRZ-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]hexanamide (CID 103954092) is N-[4-(hydroxymethyl)oxan-4-yl]hexanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]hexanamide is CCCCCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The InChIKey is PEWKHXNWRWHDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-4-5-11(15)13-12(10-14)6-8-16-9-7-12/h14H,2-10H2,1H3,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
N-[4-(hydroxymethyl)oxan-4-yl]hexanamide has a molecular weight of 229.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]hexanamide is sourced from PubChem (CID 103954092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).