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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Related Compounds

2-(cyclopropylmethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 60841585
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide
CID 106221318
N-(2,2-dimethylbutyl)-2-(prop-2-ynylamino)acetamide
CID 103461480
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263
2-(prop-2-ynylamino)acetic acid
CID 88693817
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
1-(prop-2-ynylamino)pent-4-yn-2-one
CID 116589319
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327

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).