N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide

C15H20N2O — CID 78912848

IUPACN-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-5-10-16-11-14(18)17-13-9-7-6-8-12(13)15(2,3)4/h1,6-9,16H,10-11H2,2-4H3,(H,17,18)
InChIKeyXNNVWFGBNKAFQK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide

N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78912848) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78912848
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-5-10-16-11-14(18)17-13-9-7-6-8-12(13)15(2,3)4/h1,6-9,16H,10-11H2,2-4H3,(H,17,18)
InChIKeyXNNVWFGBNKAFQK-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
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-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
N-(2-methylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912870
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79287541
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide (CID 78912848) is N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is XNNVWFGBNKAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-10-16-11-14(18)17-13-9-7-6-8-12(13)15(2,3)4/h1,6-9,16H,10-11H2,2-4H3,(H,17,18).
What are the key properties of N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78912848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).