N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide

C17H23NO2 — CID 65042615

IUPACN-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-4-17(5-2,6-3)18-16(20)15-11-7-9-14(13-15)10-8-12-19/h7,9,11,13,19H,4-6,12H2,1-3H3,(H,18,20)
InChIKeySVVFAYHIIFYUAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.73
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 65042615) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID65042615
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-4-17(5-2,6-3)18-16(20)15-11-7-9-14(13-15)10-8-12-19/h7,9,11,13,19H,4-6,12H2,1-3H3,(H,18,20)
InChIKeySVVFAYHIIFYUAG-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.73
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

3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 106279785
N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816695
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
N-(2,4-dimethylphenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816968
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 65042615) is N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide is CCC(CC)(CC)NC(=O)c1cccc(C#CCO)c1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is SVVFAYHIIFYUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-17(5-2,6-3)18-16(20)15-11-7-9-14(13-15)10-8-12-19/h7,9,11,13,19H,4-6,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 65042615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).