N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide

C13H28N2O2 — CID 106286145

IUPACN-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
SMILESCCC(CC)C(N)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C13H28N2O2/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyNMKUBXVIHZUCLH-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds8

About N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide

N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide (PubChem CID 106286145) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
PubChem CID106286145
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
SMILESCCC(CC)C(N)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C13H28N2O2/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyNMKUBXVIHZUCLH-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide
CID 103022554
N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
CID 106285954
N-(2-amino-3-ethylpentyl)butanamide
CID 106285745
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
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-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
CID 106288532
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide (CID 106286145) is N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide is CCC(CC)C(N)CNC(=O)CC(C)(C)OC.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide?
The InChIKey is NMKUBXVIHZUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide?
N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 106286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).