N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide

C11H18ClNO2 — CID 106300602

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC1(CCl)CCOCC1
InChIInChI=1S/C11H18ClNO2/c12-8-11(3-5-15-6-4-11)13-10(14)7-9-1-2-9/h9H,1-8H2,(H,13,14)
InChIKeyRGVWKOVUMIKZFN-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide

N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide (PubChem CID 106300602) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide
PubChem CID106300602
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC1(CCl)CCOCC1
InChIInChI=1S/C11H18ClNO2/c12-8-11(3-5-15-6-4-11)13-10(14)7-9-1-2-9/h9H,1-8H2,(H,13,14)
InChIKeyRGVWKOVUMIKZFN-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
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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Related Compounds

N-tert-butyl-2-chloro-2-(oxan-4-yl)acetamide
CID 62385588
N-(1-chloro-3-methylpentan-3-yl)oxane-3-carboxamide
CID 106168008
N-(1-chloro-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106168493
N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide
CID 106300270
N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide
CID 106300289
N-[4-(chloromethyl)oxan-4-yl]oxane-3-carboxamide
CID 106300293
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide
CID 106300294
N-[4-(chloromethyl)oxan-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 106300300
N-[4-(chloromethyl)oxan-4-yl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106300303
N-[4-(chloromethyl)oxan-4-yl]butanamide
CID 106300310
N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide
CID 106300311
N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide
CID 106300312

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide (CID 106300602) is N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide is O=C(CC1CC1)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide?
The InChIKey is RGVWKOVUMIKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c12-8-11(3-5-15-6-4-11)13-10(14)7-9-1-2-9/h9H,1-8H2,(H,13,14).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide?
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylacetamide has a molecular weight of 231.72 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]-2-cyclopropylacetamide is sourced from PubChem (CID 106300602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).