N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide

C12H26N2O2 — CID 103022554

IUPACN-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide
SMILESCCC(CCN)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-7-13)9-14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyCSTAYOVRJAJURH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

About N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide

N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide (PubChem CID 103022554) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide
PubChem CID103022554
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide
SMILESCCC(CCN)CNC(=O)CC(C)(C)OC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-7-13)9-14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyCSTAYOVRJAJURH-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
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
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N,3-dimethoxy-3-methylbutanamide
CID 103021007
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000
N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide (CID 103022554) is N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide is CCC(CCN)CNC(=O)CC(C)(C)OC.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide?
The InChIKey is CSTAYOVRJAJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(6-7-13)9-14-11(15)8-12(2,3)16-4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide?
N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103022554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).