2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide

C12H25N3O3 — CID 78962583

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H25N3O3/c1-5-7-13-11(17)14-10(16)8-15(6-2)9-12(3,4)18/h18H,5-9H2,1-4H3,(H2,13,14,16,17)
InChIKeySVZIRDPFOFRBKI-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.31
Rot. Bonds7

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 78962583) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID78962583
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H25N3O3/c1-5-7-13-11(17)14-10(16)8-15(6-2)9-12(3,4)18/h18H,5-9H2,1-4H3,(H2,13,14,16,17)
InChIKeySVZIRDPFOFRBKI-UHFFFAOYSA-N
XLogP0.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962463
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
CID 52685023
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
N-(propylcarbamoyl)butanamide
CID 12936931
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-methylbut-2-enoic acid
CID 79387337

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide (CID 78962583) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(CC)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is SVZIRDPFOFRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-7-13-11(17)14-10(16)8-15(6-2)9-12(3,4)18/h18H,5-9H2,1-4H3,(H2,13,14,16,17).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 78962583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).