2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide

C11H23N3O4 — CID 114243599

IUPAC2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)CCOCCO
InChIInChI=1S/C11H23N3O4/c1-9(2)12-11(17)13-10(16)8-14(3)4-6-18-7-5-15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyFVSQDKXVXHPWOM-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.84
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide

2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 114243599) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID114243599
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)CCOCCO
InChIInChI=1S/C11H23N3O4/c1-9(2)12-11(17)13-10(16)8-14(3)4-6-18-7-5-15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyFVSQDKXVXHPWOM-UHFFFAOYSA-N
XLogP-0.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.84
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-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide (CID 114243599) is 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN(C)CCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is FVSQDKXVXHPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-9(2)12-11(17)13-10(16)8-14(3)4-6-18-7-5-15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide?
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 114243599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).