N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide

C15H17NO2 — CID 62414049

IUPACN-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C15H17NO2/c17-11-2-1-4-12-7-9-13(10-8-12)15(18)16-14-5-3-6-14/h7-10,14,17H,2-3,5-6,11H2,(H,16,18)
InChIKeyFKZDTJQIUVGIAL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds3

About N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide

N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 62414049) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID62414049
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(NC1CCC1)c1ccc(C#CCCO)cc1
InChIInChI=1S/C15H17NO2/c17-11-2-1-4-12-7-9-13(10-8-12)15(18)16-14-5-3-6-14/h7-10,14,17H,2-3,5-6,11H2,(H,16,18)
InChIKeyFKZDTJQIUVGIAL-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
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-(4-hydroxybut-1-ynyl)-N-(oxolan-2-ylmethyl)benzamide
CID 60817167
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60816372
1-cyclobutyl-3-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]urea
CID 116658735
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 63995979
N-(1,1-dioxothiolan-3-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60815579
N-cyclobutyl-4-methylbenzamide
CID 23530676

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide (CID 62414049) is N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide is O=C(NC1CCC1)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is FKZDTJQIUVGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-11-2-1-4-12-7-9-13(10-8-12)15(18)16-14-5-3-6-14/h7-10,14,17H,2-3,5-6,11H2,(H,16,18).
What are the key properties of N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide?
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 62414049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).