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

C13H28N2O2 — CID 106285954

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

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

N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide (PubChem CID 106285954) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
PubChem CID106285954
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
SMILESCCC(CC)C(N)CNC(=O)C(C)(CC)OC
InChIInChI=1S/C13H28N2O2/c1-6-10(7-2)11(14)9-15-12(16)13(4,8-3)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyWVQILRZCWHAGST-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-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145
methyl 2-ethyl-4-methoxy-4-methyl-3-oxohexanoate
CID 116774833
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
N-(2-amino-3-ethylpentyl)butanamide
CID 106285745
N-(2-aminobutyl)-2,2-dimethylbutanamide
CID 63731375
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
N-(2-amino-3-ethylpentyl)cyclopentanecarboxamide
CID 106285963
2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114105255
methyl 4-methoxy-4-methyl-3-oxo-2-propan-2-ylhexanoate
CID 116774830
3-[(2-methoxy-2-methylbutanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 114105249

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide (CID 106285954) is N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide is CCC(CC)C(N)CNC(=O)C(C)(CC)OC.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide?
The InChIKey is WVQILRZCWHAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-10(7-2)11(14)9-15-12(16)13(4,8-3)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide?
N-(2-amino-3-ethylpentyl)-2-methoxy-2-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)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 106285954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).