N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide

C15H21ClN2O2 — CID 6465678

IUPACN-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NCc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H21ClN2O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyOEYFSJQERNSYTJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.07
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 6465678) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID6465678
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NCc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H21ClN2O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyOEYFSJQERNSYTJ-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 6465678) is N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)NCc2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is OEYFSJQERNSYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-7-13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 6465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).