N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide

C10H18ClNO2 — CID 114295103

IUPACN-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide
SMILESCC(C)(CCl)NC(=O)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-10(2,7-11)12-9(13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySOGGCEQOZQXXTO-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.55
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide

N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide (PubChem CID 114295103) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide
PubChem CID114295103
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide
SMILESCC(C)(CCl)NC(=O)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-10(2,7-11)12-9(13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeySOGGCEQOZQXXTO-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.55
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-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide (CID 114295103) is N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide is CC(C)(CCl)NC(=O)C1CCOCC1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is SOGGCEQOZQXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-10(2,7-11)12-9(13)8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 219.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 114295103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).