1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one

C16H24N2O3 — CID 2999728

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one
SMILESCOc1cccc(NC(C)C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)16(19)13(3)17-14-6-5-7-15(8-14)20-4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyHFXNXEFZGOBMDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one (PubChem CID 2999728) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one
PubChem CID2999728
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one
SMILESCOc1cccc(NC(C)C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)16(19)13(3)17-14-6-5-7-15(8-14)20-4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyHFXNXEFZGOBMDJ-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one (CID 2999728) is 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one is COc1cccc(NC(C)C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one?
The InChIKey is HFXNXEFZGOBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)16(19)13(3)17-14-6-5-7-15(8-14)20-4/h5-8,11-13,17H,9-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(3-methoxyanilino)propan-1-one is sourced from PubChem (CID 2999728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).