N-but-3-yn-2-yl-2-(ethylamino)benzamide

C13H16N2O — CID 114418246

IUPACN-but-3-yn-2-yl-2-(ethylamino)benzamide
SMILESC#CC(C)NC(=O)c1ccccc1NCC
InChIInChI=1S/C13H16N2O/c1-4-10(3)15-13(16)11-8-6-7-9-12(11)14-5-2/h1,6-10,14H,5H2,2-3H3,(H,15,16)
InChIKeyOVBFPRAKWDAJBN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds4

About N-but-3-yn-2-yl-2-(ethylamino)benzamide

N-but-3-yn-2-yl-2-(ethylamino)benzamide (PubChem CID 114418246) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-(ethylamino)benzamide
PubChem CID114418246
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-but-3-yn-2-yl-2-(ethylamino)benzamide
SMILESC#CC(C)NC(=O)c1ccccc1NCC
InChIInChI=1S/C13H16N2O/c1-4-10(3)15-13(16)11-8-6-7-9-12(11)14-5-2/h1,6-10,14H,5H2,2-3H3,(H,15,16)
InChIKeyOVBFPRAKWDAJBN-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
CID 62175664
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
N-but-3-yn-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 114418972
2-(ethylamino)-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81368098
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-(ethylamino)benzamide?
The IUPAC name of N-but-3-yn-2-yl-2-(ethylamino)benzamide (CID 114418246) is N-but-3-yn-2-yl-2-(ethylamino)benzamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-(ethylamino)benzamide?
The canonical SMILES for N-but-3-yn-2-yl-2-(ethylamino)benzamide is C#CC(C)NC(=O)c1ccccc1NCC.
What is the InChIKey of N-but-3-yn-2-yl-2-(ethylamino)benzamide?
The InChIKey is OVBFPRAKWDAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-10(3)15-13(16)11-8-6-7-9-12(11)14-5-2/h1,6-10,14H,5H2,2-3H3,(H,15,16).
What are the key properties of N-but-3-yn-2-yl-2-(ethylamino)benzamide?
N-but-3-yn-2-yl-2-(ethylamino)benzamide has a molecular weight of 216.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-(ethylamino)benzamide is sourced from PubChem (CID 114418246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).