2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide

C11H23N3O4 — CID 103605683

IUPAC2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCOCCOC
InChIInChI=1S/C11H23N3O4/c1-9(10(15)14-11(16)12-2)13-5-4-6-18-8-7-17-3/h9,13H,4-8H2,1-3H3,(H2,12,14,15,16)
InChIKeyQEXHKKBSTQVWNY-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.53
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide

2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 103605683) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide
PubChem CID103605683
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCOCCOC
InChIInChI=1S/C11H23N3O4/c1-9(10(15)14-11(16)12-2)13-5-4-6-18-8-7-17-3/h9,13H,4-8H2,1-3H3,(H2,12,14,15,16)
InChIKeyQEXHKKBSTQVWNY-UHFFFAOYSA-N
XLogP-0.53
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide (CID 103605683) is 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is QEXHKKBSTQVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-9(10(15)14-11(16)12-2)13-5-4-6-18-8-7-17-3/h9,13H,4-8H2,1-3H3,(H2,12,14,15,16).
What are the key properties of 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide?
2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 261.32 g/mol, XLogP of -0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 103605683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).