N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

C17H23ClN2O3 — CID 53245044

IUPACN-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-4-20-11-17(2,3)23-16(22)14(20)9-15(21)19-10-12-6-5-7-13(18)8-12/h5-8,14H,4,9-11H2,1-3H3,(H,19,21)
InChIKeyPXBBGRKMCLGTEG-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.37
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (PubChem CID 53245044) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
PubChem CID53245044
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-4-20-11-17(2,3)23-16(22)14(20)9-15(21)19-10-12-6-5-7-13(18)8-12/h5-8,14H,4,9-11H2,1-3H3,(H,19,21)
InChIKeyPXBBGRKMCLGTEG-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (CID 53245044) is N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The InChIKey is PXBBGRKMCLGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-4-20-11-17(2,3)23-16(22)14(20)9-15(21)19-10-12-6-5-7-13(18)8-12/h5-8,14H,4,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is sourced from PubChem (CID 53245044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).