4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

C12H23NO4 — CID 103954200

IUPAC4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESCCOCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO4/c1-2-16-7-3-4-11(15)13-12(10-14)5-8-17-9-6-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyQJBJXVDZZFBKOZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.46
Rot. Bonds7

About 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (PubChem CID 103954200) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
PubChem CID103954200
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESCCOCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H23NO4/c1-2-16-7-3-4-11(15)13-12(10-14)5-8-17-9-6-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyQJBJXVDZZFBKOZ-UHFFFAOYSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The IUPAC name of 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (CID 103954200) is 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The canonical SMILES for 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is CCOCCCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The InChIKey is QJBJXVDZZFBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-16-7-3-4-11(15)13-12(10-14)5-8-17-9-6-12/h14H,2-10H2,1H3,(H,13,15).
What are the key properties of 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide has a molecular weight of 245.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is sourced from PubChem (CID 103954200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).