N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide

C11H20N2O — CID 104828232

IUPACN-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-7-12-8-10(14)13-9(2)11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14)
InChIKeyJMMGVMIQLOOGIL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide

N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 104828232) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID104828232
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-7-12-8-10(14)13-9(2)11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14)
InChIKeyJMMGVMIQLOOGIL-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79270267
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 78912815
N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79286814
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
CID 79287630
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide (CID 104828232) is N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is JMMGVMIQLOOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-7-12-8-10(14)13-9(2)11(3,4)5/h1,9,12H,7-8H2,2-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 104828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).