2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide

C9H16ClNO2 — CID 62226827

IUPAC2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)C1CCOC1
InChIInChI=1S/C9H16ClNO2/c1-6(2)11-9(12)8(10)7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyWHIKRJRTLMBJMR-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.15
Rot. Bonds3

About 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide

2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide (PubChem CID 62226827) has the molecular formula C9H16ClNO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide
PubChem CID62226827
Molecular FormulaC9H16ClNO2
Molecular Weight205.69 g/mol
Exact Mass205.09
IUPAC Name2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)C1CCOC1
InChIInChI=1S/C9H16ClNO2/c1-6(2)11-9(12)8(10)7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyWHIKRJRTLMBJMR-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.15
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

2-chloro-N-methyl-2-(oxolan-3-yl)acetamide
CID 62225479
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
hydroxymethyl 2-chloro-2-(oxolan-3-yl)acetate
CID 88920668
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide (CID 62226827) is 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)C(Cl)C1CCOC1.
What is the InChIKey of 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide?
The InChIKey is WHIKRJRTLMBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-6(2)11-9(12)8(10)7-3-4-13-5-7/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide?
2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide has a molecular weight of 205.69 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62226827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).