2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide

C9H15ClN2O4 — CID 104764443

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
SMILESCOC1(CNC(=O)NC(=O)CCl)CCOC1
InChIInChI=1S/C9H15ClN2O4/c1-15-9(2-3-16-6-9)5-11-8(14)12-7(13)4-10/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyHECSYASTCZDBFS-UHFFFAOYSA-N
MW250.68 g/mol
LogP-0.14
Rot. Bonds4

About 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide (PubChem CID 104764443) has the molecular formula C9H15ClN2O4 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
PubChem CID104764443
Molecular FormulaC9H15ClN2O4
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
SMILESCOC1(CNC(=O)NC(=O)CCl)CCOC1
InChIInChI=1S/C9H15ClN2O4/c1-15-9(2-3-16-6-9)5-11-8(14)12-7(13)4-10/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyHECSYASTCZDBFS-UHFFFAOYSA-N
XLogP-0.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442
4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 104762336
5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 104762334
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide (CID 104764443) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide is COC1(CNC(=O)NC(=O)CCl)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide?
The InChIKey is HECSYASTCZDBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O4/c1-15-9(2-3-16-6-9)5-11-8(14)12-7(13)4-10/h2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide?
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide has a molecular weight of 250.68 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide is sourced from PubChem (CID 104764443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).