3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

C10H18ClNO3 — CID 104759837

IUPAC3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)CCl)CCOC1
InChIInChI=1S/C10H18ClNO3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyMXHCMEAPRBFYAR-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.78
Rot. Bonds5

About 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide

3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 104759837) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID104759837
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCOC1(CNC(=O)C(C)CCl)CCOC1
InChIInChI=1S/C10H18ClNO3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyMXHCMEAPRBFYAR-UHFFFAOYSA-N
XLogP0.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62727762
3-chloro-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 63680753
N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104708916
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 104708946
N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104708980
N-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboxamide
CID 104708989
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104709006
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104709187
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104759835
5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide
CID 104759836
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104759841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 104759837) is 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is COC1(CNC(=O)C(C)CCl)CCOC1.
What is the InChIKey of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is MXHCMEAPRBFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-8(5-11)9(13)12-6-10(14-2)3-4-15-7-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide?
3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 235.71 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 104759837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).