1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one

C20H31NO2 — CID 3064263

IUPAC1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1C(C)COC(C)C1c1ccccc1
InChIInChI=1S/C20H31NO2/c1-5-10-18(11-6-2)20(22)21-15(3)14-23-16(4)19(21)17-12-8-7-9-13-17/h7-9,12-13,15-16,18-19H,5-6,10-11,14H2,1-4H3
InChIKeyVMCAOURZMQMJLW-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.58
Rot. Bonds6

About 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one

1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one (PubChem CID 3064263) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one
PubChem CID3064263
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1C(C)COC(C)C1c1ccccc1
InChIInChI=1S/C20H31NO2/c1-5-10-18(11-6-2)20(22)21-15(3)14-23-16(4)19(21)17-12-8-7-9-13-17/h7-9,12-13,15-16,18-19H,5-6,10-11,14H2,1-4H3
InChIKeyVMCAOURZMQMJLW-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one (CID 3064263) is 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)N1C(C)COC(C)C1c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one?
The InChIKey is VMCAOURZMQMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-5-10-18(11-6-2)20(22)21-15(3)14-23-16(4)19(21)17-12-8-7-9-13-17/h7-9,12-13,15-16,18-19H,5-6,10-11,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one?
1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one has a molecular weight of 317.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-phenylmorpholin-4-yl)-2-propylpentan-1-one is sourced from PubChem (CID 3064263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).