N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide

C16H30N2O3 — CID 126763695

IUPACN-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide
SMILESCN(CCC(C)(C)C(=O)N1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)13(19)17(6)8-7-16(4,5)14(20)18-9-11-21-12-10-18/h7-12H2,1-6H3
InChIKeyUFQBHLWKFWLKTR-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.77
Rot. Bonds4

About N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide

N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide (PubChem CID 126763695) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide
PubChem CID126763695
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide
SMILESCN(CCC(C)(C)C(=O)N1CCOCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-15(2,3)13(19)17(6)8-7-16(4,5)14(20)18-9-11-21-12-10-18/h7-12H2,1-6H3
InChIKeyUFQBHLWKFWLKTR-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,2-dimethyl-1-(1,4-oxazepan-4-yl)propan-1-one
CID 63663845
N-[1-(2,2-dimethyl-3-morpholin-4-yl-3-oxopropoxy)-3-hydroxy-2-methylpropan-2-yl]-2,2-dimethylpropanamide
CID 135224218
2-amino-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide;hydrochloride
CID 119290901
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 161376729
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
CID 130600801
ethane;2-methyl-2-(methylamino)-1-morpholin-4-ylpropan-1-one
CID 168940917
2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide (CID 126763695) is N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide is CN(CCC(C)(C)C(=O)N1CCOCC1)C(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide?
The InChIKey is UFQBHLWKFWLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)13(19)17(6)8-7-16(4,5)14(20)18-9-11-21-12-10-18/h7-12H2,1-6H3.
What are the key properties of N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide?
N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 126763695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).