N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide

C9H16N2O2 — CID 79286814

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)(C)CO
InChIInChI=1S/C9H16N2O2/c1-4-5-10-6-8(13)11-9(2,3)7-12/h1,10,12H,5-7H2,2-3H3,(H,11,13)
InChIKeyMMDDNEBRAJJLNC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.90
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286814) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286814
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)(C)CO
InChIInChI=1S/C9H16N2O2/c1-4-5-10-6-8(13)11-9(2,3)7-12/h1,10,12H,5-7H2,2-3H3,(H,11,13)
InChIKeyMMDDNEBRAJJLNC-UHFFFAOYSA-N
XLogP-0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide (CID 79286814) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is MMDDNEBRAJJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-10-6-8(13)11-9(2,3)7-12/h1,10,12H,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 184.24 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).