N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide

C13H28N2O2 — CID 107158484

IUPACN-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC(N)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)17-6/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeySFCWQQMJMFLGPF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds6

About N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide

N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide (PubChem CID 107158484) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
PubChem CID107158484
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC(N)CC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)17-6/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeySFCWQQMJMFLGPF-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide
CID 103022554
N,3-dimethoxy-3-methylbutanamide
CID 103021007
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000
N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
N-(2-amino-4,4-dimethylpentyl)-2-phenoxyacetamide
CID 107158440
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide (CID 107158484) is N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCC(N)CC(C)(C)C.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide?
The InChIKey is SFCWQQMJMFLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)17-6/h10H,7-9,14H2,1-6H3,(H,15,16).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide?
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 107158484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).