N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide

C12H22N2O3 — CID 113463825

IUPACN-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCCOCCOC
InChIInChI=1S/C12H22N2O3/c1-3-6-13-11-12(15)14-7-4-5-8-17-10-9-16-2/h1,13H,4-11H2,2H3,(H,14,15)
InChIKeyRUGGTTAQRRXCAB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.23
Rot. Bonds11

About N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide

N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 113463825) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
PubChem CID113463825
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCCCOCCOC
InChIInChI=1S/C12H22N2O3/c1-3-6-13-11-12(15)14-7-4-5-8-17-10-9-16-2/h1,13H,4-11H2,2H3,(H,14,15)
InChIKeyRUGGTTAQRRXCAB-UHFFFAOYSA-N
XLogP-0.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide (CID 113463825) is N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCCCOCCOC.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is RUGGTTAQRRXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-6-13-11-12(15)14-7-4-5-8-17-10-9-16-2/h1,13H,4-11H2,2H3,(H,14,15).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide?
N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 113463825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).