N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C10H22N2O2 — CID 112601736

IUPACN-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-8-9(13)12-7-5-4-6-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyHDHHQECREBTARU-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.66
Rot. Bonds6

About N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112601736) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112601736
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-8-9(13)12-7-5-4-6-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyHDHHQECREBTARU-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112601736) is N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is HDHHQECREBTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-8-9(13)12-7-5-4-6-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 202.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112601736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).