2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

C17H24ClNO3 — CID 166423753

IUPAC2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOC1(CN(Cc2ccc(C)cc2)C(=O)CCl)CCCOC1
InChIInChI=1S/C17H24ClNO3/c1-14-4-6-15(7-5-14)11-19(16(20)10-18)12-17(21-2)8-3-9-22-13-17/h4-7H,3,8-13H2,1-2H3
InChIKeyFTELEYJJPHCTLY-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.76
Rot. Bonds6

About 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 166423753) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID166423753
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOC1(CN(Cc2ccc(C)cc2)C(=O)CCl)CCCOC1
InChIInChI=1S/C17H24ClNO3/c1-14-4-6-15(7-5-14)11-19(16(20)10-18)12-17(21-2)8-3-9-22-13-17/h4-7H,3,8-13H2,1-2H3
InChIKeyFTELEYJJPHCTLY-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
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 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide (CID 166423753) is 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide is COC1(CN(Cc2ccc(C)cc2)C(=O)CCl)CCCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FTELEYJJPHCTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-14-4-6-15(7-5-14)11-19(16(20)10-18)12-17(21-2)8-3-9-22-13-17/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxan-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166423753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).