2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide

C11H24N2O2 — CID 115711313

IUPAC2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
SMILESCOCC(C)NC(C(=O)N(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(11(14)13(4)5)12-9(3)7-15-6/h8-10,12H,7H2,1-6H3
InChIKeyXJQRBRYQTGRRDY-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.72
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide

2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide (PubChem CID 115711313) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
PubChem CID115711313
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide
SMILESCOCC(C)NC(C(=O)N(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(11(14)13(4)5)12-9(3)7-15-6/h8-10,12H,7H2,1-6H3
InChIKeyXJQRBRYQTGRRDY-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711311
N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
CID 115711305
methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
CID 62535658
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
CID 103789156
2-(2-methoxyethoxyamino)-N,N-dimethylpropanamide
CID 82722296
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
N-ethyl-2-(1-methoxypropan-2-ylamino)-N-methylacetamide
CID 43309563
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide (CID 115711313) is 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide is COCC(C)NC(C(=O)N(C)C)C(C)C.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide?
The InChIKey is XJQRBRYQTGRRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)10(11(14)13(4)5)12-9(3)7-15-6/h8-10,12H,7H2,1-6H3.
What are the key properties of 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide?
2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-N,N,3-trimethylbutanamide is sourced from PubChem (CID 115711313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).