N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide

C11H20ClNO2 — CID 115364704

IUPACN-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
SMILESCC(C)(CCl)CNC(=O)C1CCCCO1
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)9-5-3-4-6-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyOIWBGBKNEKEKST-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide

N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide (PubChem CID 115364704) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
PubChem CID115364704
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
SMILESCC(C)(CCl)CNC(=O)C1CCCCO1
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)9-5-3-4-6-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyOIWBGBKNEKEKST-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
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-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide (CID 115364704) is N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide is CC(C)(CCl)CNC(=O)C1CCCCO1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide?
The InChIKey is OIWBGBKNEKEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)9-5-3-4-6-15-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide is sourced from PubChem (CID 115364704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).