2-[4-(4-aminobutoxy)butoxy]acetamide

C10H22N2O3 — CID 155031633

IUPAC2-[4-(4-aminobutoxy)butoxy]acetamide
SMILESNCCCCOCCCCOCC(N)=O
InChIInChI=1S/C10H22N2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9,11H2,(H2,12,13)
InChIKeyFYYJKVULASNDMI-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.02
Rot. Bonds11

About 2-[4-(4-aminobutoxy)butoxy]acetamide

2-[4-(4-aminobutoxy)butoxy]acetamide (PubChem CID 155031633) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(4-aminobutoxy)butoxy]acetamide.

Molecular Properties

Compound Name2-[4-(4-aminobutoxy)butoxy]acetamide
PubChem CID155031633
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[4-(4-aminobutoxy)butoxy]acetamide
SMILESNCCCCOCCCCOCC(N)=O
InChIInChI=1S/C10H22N2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9,11H2,(H2,12,13)
InChIKeyFYYJKVULASNDMI-UHFFFAOYSA-N
XLogP0.02
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropoxy)acetamide
CID 62344224
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
2-tridecoxyacetamide
CID 54483018
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
2-[2-(4-oxopentoxy)ethoxy]acetamide
CID 122436040
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutoxy)butoxy]acetamide?
The IUPAC name of 2-[4-(4-aminobutoxy)butoxy]acetamide (CID 155031633) is 2-[4-(4-aminobutoxy)butoxy]acetamide.
What is the SMILES notation for 2-[4-(4-aminobutoxy)butoxy]acetamide?
The canonical SMILES for 2-[4-(4-aminobutoxy)butoxy]acetamide is NCCCCOCCCCOCC(N)=O.
What is the InChIKey of 2-[4-(4-aminobutoxy)butoxy]acetamide?
The InChIKey is FYYJKVULASNDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9,11H2,(H2,12,13).
What are the key properties of 2-[4-(4-aminobutoxy)butoxy]acetamide?
2-[4-(4-aminobutoxy)butoxy]acetamide has a molecular weight of 218.30 g/mol, XLogP of 0.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutoxy)butoxy]acetamide is sourced from PubChem (CID 155031633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).