N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide

C16H32N2O2 — CID 163271257

IUPACN-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CN1CCOCC1(C)C)C(C)C
InChIInChI=1S/C16H32N2O2/c1-7-13(4)15(19)17-14(12(2)3)10-18-8-9-20-11-16(18,5)6/h12-14H,7-11H2,1-6H3,(H,17,19)
InChIKeyHMUSAILIXUFGDJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.28
Rot. Bonds6

About N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide

N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide (PubChem CID 163271257) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide
PubChem CID163271257
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CN1CCOCC1(C)C)C(C)C
InChIInChI=1S/C16H32N2O2/c1-7-13(4)15(19)17-14(12(2)3)10-18-8-9-20-11-16(18,5)6/h12-14H,7-11H2,1-6H3,(H,17,19)
InChIKeyHMUSAILIXUFGDJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
1-(3,3-dimethylmorpholin-4-yl)-N-methylbutan-2-amine
CID 62038435
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119876458
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
4-(3,3-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanamide
CID 63054478
ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
CID 63053944
3-(3,3-dimethylmorpholin-4-yl)-2-ethoxypropan-1-amine
CID 63070053
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide?
The IUPAC name of N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide (CID 163271257) is N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide is CCC(C)C(=O)NC(CN1CCOCC1(C)C)C(C)C.
What is the InChIKey of N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide?
The InChIKey is HMUSAILIXUFGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-13(4)15(19)17-14(12(2)3)10-18-8-9-20-11-16(18,5)6/h12-14H,7-11H2,1-6H3,(H,17,19).
What are the key properties of N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide?
N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 163271257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).