N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H28N2O2 — CID 114164078

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(CN)CNC(=O)COC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-13(7-2,9-14)10-15-11(16)8-17-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyLURVEXITQCEIAG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 114164078) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID114164078
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(CN)CNC(=O)COC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-13(7-2,9-14)10-15-11(16)8-17-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyLURVEXITQCEIAG-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2-(dimethylamino)-2-methylpropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604358
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
N-(1-amino-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106164834
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
2-hydroxy-N-[2,2,4,4-tetramethyl-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide
CID 167513173

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 114164078) is N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(CC)(CN)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LURVEXITQCEIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-13(7-2,9-14)10-15-11(16)8-17-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 114164078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).