4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

C10H18ClNO3 — CID 104759848

IUPAC4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCCl)CCOC1
InChIInChI=1S/C10H18ClNO3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8H2,1H3,(H,12,13)
InChIKeyQPOMUAHGYSQFHV-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.93
Rot. Bonds6

About 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide

4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 104759848) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID104759848
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCOC1(CNC(=O)CCCCl)CCOC1
InChIInChI=1S/C10H18ClNO3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8H2,1H3,(H,12,13)
InChIKeyQPOMUAHGYSQFHV-UHFFFAOYSA-N
XLogP0.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 104759848) is 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is COC1(CNC(=O)CCCCl)CCOC1.
What is the InChIKey of 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is QPOMUAHGYSQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-14-10(4-6-15-8-10)7-12-9(13)3-2-5-11/h2-8H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 235.71 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 104759848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).