N-(4-aminobutyl)-2-propan-2-yloxyacetamide

C9H20N2O2 — CID 112601737

IUPACN-(4-aminobutyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCN
InChIInChI=1S/C9H20N2O2/c1-8(2)13-7-9(12)11-6-4-3-5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyIXILNFNWSYIILC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds7

About N-(4-aminobutyl)-2-propan-2-yloxyacetamide

N-(4-aminobutyl)-2-propan-2-yloxyacetamide (PubChem CID 112601737) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-propan-2-yloxyacetamide
PubChem CID112601737
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(4-aminobutyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCN
InChIInChI=1S/C9H20N2O2/c1-8(2)13-7-9(12)11-6-4-3-5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyIXILNFNWSYIILC-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
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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Related Compounds

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-aminobutyl)-2-propan-2-yloxyacetamide (CID 112601737) is N-(4-aminobutyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-aminobutyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-propan-2-yloxyacetamide?
The InChIKey is IXILNFNWSYIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)13-7-9(12)11-6-4-3-5-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of N-(4-aminobutyl)-2-propan-2-yloxyacetamide?
N-(4-aminobutyl)-2-propan-2-yloxyacetamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).