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

C16H30ClNO2 — CID 106300335

IUPACN-[4-(chloromethyl)oxan-4-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C16H30ClNO2/c1-2-3-4-5-6-7-8-9-15(19)18-16(14-17)10-12-20-13-11-16/h2-14H2,1H3,(H,18,19)
InChIKeyQMTLTMGQJGSKRO-UHFFFAOYSA-N
MW303.87 g/mol
LogP4.03
Rot. Bonds10

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

N-[4-(chloromethyl)oxan-4-yl]decanamide (PubChem CID 106300335) has the molecular formula C16H30ClNO2 and a molecular weight of 303.87 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]decanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]decanamide
PubChem CID106300335
Molecular FormulaC16H30ClNO2
Molecular Weight303.87 g/mol
Exact Mass303.20
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C16H30ClNO2/c1-2-3-4-5-6-7-8-9-15(19)18-16(14-17)10-12-20-13-11-16/h2-14H2,1H3,(H,18,19)
InChIKeyQMTLTMGQJGSKRO-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]decanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]decanamide (CID 106300335) is N-[4-(chloromethyl)oxan-4-yl]decanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]decanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]decanamide is CCCCCCCCCC(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]decanamide?
The InChIKey is QMTLTMGQJGSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO2/c1-2-3-4-5-6-7-8-9-15(19)18-16(14-17)10-12-20-13-11-16/h2-14H2,1H3,(H,18,19).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]decanamide?
N-[4-(chloromethyl)oxan-4-yl]decanamide has a molecular weight of 303.87 g/mol, XLogP of 4.03, 10 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]decanamide is sourced from PubChem (CID 106300335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).