2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide

C9H19N3O3 — CID 65053011

IUPAC2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)OC(C)(C)CN
InChIInChI=1S/C9H19N3O3/c1-6(15-9(2,3)5-10)7(13)12-8(14)11-4/h6H,5,10H2,1-4H3,(H2,11,12,13,14)
InChIKeyRZOICESBAJPJEL-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.42
Rot. Bonds4

About 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide

2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide (PubChem CID 65053011) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide
PubChem CID65053011
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)OC(C)(C)CN
InChIInChI=1S/C9H19N3O3/c1-6(15-9(2,3)5-10)7(13)12-8(14)11-4/h6H,5,10H2,1-4H3,(H2,11,12,13,14)
InChIKeyRZOICESBAJPJEL-UHFFFAOYSA-N
XLogP-0.42
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide (CID 65053011) is 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)OC(C)(C)CN.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide?
The InChIKey is RZOICESBAJPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(15-9(2,3)5-10)7(13)12-8(14)11-4/h6H,5,10H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide?
2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide has a molecular weight of 217.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)oxy-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 65053011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).