3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one

C13H26N2O3 — CID 103033572

IUPAC3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOC(C)(C)CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,17-3)5-7-14-6-4-12(16)15-8-10-18-11-9-15/h14H,4-11H2,1-3H3
InChIKeyYZBPVHZIRVIESF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds7

About 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103033572) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID103033572
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOC(C)(C)CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-13(2,17-3)5-7-14-6-4-12(16)15-8-10-18-11-9-15/h14H,4-11H2,1-3H3
InChIKeyYZBPVHZIRVIESF-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615757
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
CID 115586570
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
CID 112696580
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one (CID 103033572) is 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one is COC(C)(C)CCNCCC(=O)N1CCOCC1.
What is the InChIKey of 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YZBPVHZIRVIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,17-3)5-7-14-6-4-12(16)15-8-10-18-11-9-15/h14H,4-11H2,1-3H3.
What are the key properties of 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103033572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).