4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C16H19NO2 — CID 53384867

IUPAC4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(C#CC2CC2)cc1
InChIInChI=1S/C16H19NO2/c1-16(2,11-18)17-15(19)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-10,12,18H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyZASZMISGTOAJIO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 53384867) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID53384867
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(C#CC2CC2)cc1
InChIInChI=1S/C16H19NO2/c1-16(2,11-18)17-15(19)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-10,12,18H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyZASZMISGTOAJIO-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.95
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

4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[2-(4-hydroxycyclohexyl)ethynyl]benzamide
CID 89047887
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
methyl 4-[2-[3-(hydroxymethyl)cyclopentyl]ethynyl]benzoate
CID 71005929
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[4-(hydroxymethyl)cyclohexyl]buta-1,3-diynyl]benzamide
CID 71465574
N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide
CID 86207276
4-[4-[4-(hydroxymethyl)cyclohexyl]buta-1,3-diynyl]benzoic acid
CID 89158469
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 53384867) is 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(C#CC2CC2)cc1.
What is the InChIKey of 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is ZASZMISGTOAJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,11-18)17-15(19)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-10,12,18H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 53384867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).