N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide

C16H19NO2 — CID 54921713

IUPACN-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCC(NC(=O)c1ccccc1C#CCCO)C1CC1
InChIInChI=1S/C16H19NO2/c1-12(13-9-10-13)17-16(19)15-8-3-2-6-14(15)7-4-5-11-18/h2-3,6,8,12-13,18H,5,9-11H2,1H3,(H,17,19)
InChIKeyBHBYSJXFJQNPFE-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.95
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide

N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 54921713) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID54921713
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCC(NC(=O)c1ccccc1C#CCCO)C1CC1
InChIInChI=1S/C16H19NO2/c1-12(13-9-10-13)17-16(19)15-8-3-2-6-14(15)7-4-5-11-18/h2-3,6,8,12-13,18H,5,9-11H2,1H3,(H,17,19)
InChIKeyBHBYSJXFJQNPFE-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339
2-(4-hydroxybut-1-ynyl)-N-(2-methylpentan-3-yl)benzamide
CID 61471494
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide (CID 54921713) is N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide is CC(NC(=O)c1ccccc1C#CCCO)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is BHBYSJXFJQNPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(13-9-10-13)17-16(19)15-8-3-2-6-14(15)7-4-5-11-18/h2-3,6,8,12-13,18H,5,9-11H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 54921713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).