3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide

C11H24N2O2 — CID 115748000

IUPAC3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)CCOC
InChIInChI=1S/C11H24N2O2/c1-9(6-7-15-5)13-8-11(2,3)10(14)12-4/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyYFRHNQHRMUQXEV-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.77
Rot. Bonds7

About 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide

3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide (PubChem CID 115748000) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
PubChem CID115748000
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)CCOC
InChIInChI=1S/C11H24N2O2/c1-9(6-7-15-5)13-8-11(2,3)10(14)12-4/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyYFRHNQHRMUQXEV-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxypropylamino)-N,2,2-trimethylpropanamide
CID 106276968
tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788272
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277417
N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
methyl 2,2-dimethyl-3-(5-methylhexan-2-ylamino)propanoate
CID 79624794
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
3-[[(1S)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-N,2,2-trimethylpropanamide
CID 99821730
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide (CID 115748000) is 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(C)CCOC.
What is the InChIKey of 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide?
The InChIKey is YFRHNQHRMUQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(6-7-15-5)13-8-11(2,3)10(14)12-4/h9,13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide?
3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115748000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).