3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H24N2O4 — CID 106658991

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)OCC(NCCC(=O)N2CCOCC2)CO1
InChIInChI=1S/C13H24N2O4/c1-13(2)18-9-11(10-19-13)14-4-3-12(16)15-5-7-17-8-6-15/h11,14H,3-10H2,1-2H3
InChIKeyPICXDQPTFUGNJZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.02
Rot. Bonds4

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 106658991) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID106658991
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)OCC(NCCC(=O)N2CCOCC2)CO1
InChIInChI=1S/C13H24N2O4/c1-13(2)18-9-11(10-19-13)14-4-3-12(16)15-5-7-17-8-6-15/h11,14H,3-10H2,1-2H3
InChIKeyPICXDQPTFUGNJZ-UHFFFAOYSA-N
XLogP-0.02
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112700334
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 106658991) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one is CC1(C)OCC(NCCC(=O)N2CCOCC2)CO1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PICXDQPTFUGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2)18-9-11(10-19-13)14-4-3-12(16)15-5-7-17-8-6-15/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 272.34 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 106658991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).