2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one

C14H28N2O3 — CID 104624292

IUPAC2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCC(C)(C)CNC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O3/c1-12(13(17)16-6-9-19-10-7-16)15-11-14(2,3)5-8-18-4/h12,15H,5-11H2,1-4H3
InChIKeyBDEPEBUZFQTZTK-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.89
Rot. Bonds7

About 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one

2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 104624292) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID104624292
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCC(C)(C)CNC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O3/c1-12(13(17)16-6-9-19-10-7-16)15-11-14(2,3)5-8-18-4/h12,15H,5-11H2,1-4H3
InChIKeyBDEPEBUZFQTZTK-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetamide
CID 112683464
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
2-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 112684465
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one (CID 104624292) is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one is COCCC(C)(C)CNC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BDEPEBUZFQTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(13(17)16-6-9-19-10-7-16)15-11-14(2,3)5-8-18-4/h12,15H,5-11H2,1-4H3.
What are the key properties of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 104624292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).