N-[4-(chloromethyl)oxan-4-yl]butanamide

C10H18ClNO2 — CID 106300310

IUPACN-[4-(chloromethyl)oxan-4-yl]butanamide
SMILESCCCC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-8H2,1H3,(H,12,13)
InChIKeySSBDEYCGQMTDQE-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]butanamide

N-[4-(chloromethyl)oxan-4-yl]butanamide (PubChem CID 106300310) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]butanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]butanamide
PubChem CID106300310
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]butanamide
SMILESCCCC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-8H2,1H3,(H,12,13)
InChIKeySSBDEYCGQMTDQE-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]butanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]butanamide (CID 106300310) is N-[4-(chloromethyl)oxan-4-yl]butanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]butanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]butanamide is CCCC(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]butanamide?
The InChIKey is SSBDEYCGQMTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-2-3-9(13)12-10(8-11)4-6-14-7-5-10/h2-8H2,1H3,(H,12,13).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]butanamide?
N-[4-(chloromethyl)oxan-4-yl]butanamide has a molecular weight of 219.71 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]butanamide is sourced from PubChem (CID 106300310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).