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

C17H26N2O3 — CID 120591420

IUPAC4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H26N2O3/c1-17(2)12-22-15(13-7-5-4-6-8-13)11-19(17)16(20)9-14(10-18)21-3/h4-8,14-15H,9-12,18H2,1-3H3
InChIKeyGQWBLOSZMVCVIW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds5

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

4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one (PubChem CID 120591420) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
PubChem CID120591420
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H26N2O3/c1-17(2)12-22-15(13-7-5-4-6-8-13)11-19(17)16(20)9-14(10-18)21-3/h4-8,14-15H,9-12,18H2,1-3H3
InChIKeyGQWBLOSZMVCVIW-UHFFFAOYSA-N
XLogP1.73
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one (CID 120591420) is 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one is COC(CN)CC(=O)N1CC(c2ccccc2)OCC1(C)C.
What is the InChIKey of 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one?
The InChIKey is GQWBLOSZMVCVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2)12-22-15(13-7-5-4-6-8-13)11-19(17)16(20)9-14(10-18)21-3/h4-8,14-15H,9-12,18H2,1-3H3.
What are the key properties of 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one?
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one is sourced from PubChem (CID 120591420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).