2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide

C11H23N3O4 — CID 62014202

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C11H23N3O4/c1-4-5-12-11(17)13-10(16)7-14(2)6-9(15)8-18-3/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyBEJDODAJGJHIDW-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.84
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 62014202) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide
PubChem CID62014202
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C11H23N3O4/c1-4-5-12-11(17)13-10(16)7-14(2)6-9(15)8-18-3/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyBEJDODAJGJHIDW-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide (CID 62014202) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)CC(O)COC.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is BEJDODAJGJHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-4-5-12-11(17)13-10(16)7-14(2)6-9(15)8-18-3/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)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-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 62014202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).