N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide

C16H23ClN2O3 — CID 75437440

IUPACN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1
InChIInChI=1S/C16H23ClN2O3/c1-11(21-3)16(20)18-15(12-4-6-13(17)7-5-12)14-10-19(2)8-9-22-14/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20)
InChIKeyOXJLTLGXCROPSE-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.86
Rot. Bonds5

About N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide (PubChem CID 75437440) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
PubChem CID75437440
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1
InChIInChI=1S/C16H23ClN2O3/c1-11(21-3)16(20)18-15(12-4-6-13(17)7-5-12)14-10-19(2)8-9-22-14/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20)
InChIKeyOXJLTLGXCROPSE-UHFFFAOYSA-N
XLogP1.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide (CID 75437440) is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide is COC(C)C(=O)NC(c1ccc(Cl)cc1)C1CN(C)CCO1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide?
The InChIKey is OXJLTLGXCROPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(21-3)16(20)18-15(12-4-6-13(17)7-5-12)14-10-19(2)8-9-22-14/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide?
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide has a molecular weight of 326.82 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 75437440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).