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

C22H28N2O2 — CID 4883463

IUPAC2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)NC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H28N2O2/c1-16-14-24(15-17(2)26-16)22(25)18(3)23-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21,23H,14-15H2,1-3H3
InChIKeyKPWGPNSNLBJRFJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.39
Rot. Bonds5

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

2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4883463) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4883463
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)NC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H28N2O2/c1-16-14-24(15-17(2)26-16)22(25)18(3)23-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21,23H,14-15H2,1-3H3
InChIKeyKPWGPNSNLBJRFJ-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4883463) is 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)NC(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is KPWGPNSNLBJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-14-24(15-17(2)26-16)22(25)18(3)23-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21,23H,14-15H2,1-3H3.
What are the key properties of 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).