N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide

C15H19NO2 — CID 54922339

IUPACN-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO2/c1-3-12(2)16-15(18)14-10-5-4-8-13(14)9-6-7-11-17/h4-5,8,10,12,17H,3,7,11H2,1-2H3,(H,16,18)
InChIKeyBCJCMFCYLCITJH-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.95
Rot. Bonds4

About N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide

N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 54922339) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID54922339
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO2/c1-3-12(2)16-15(18)14-10-5-4-8-13(14)9-6-7-11-17/h4-5,8,10,12,17H,3,7,11H2,1-2H3,(H,16,18)
InChIKeyBCJCMFCYLCITJH-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
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

2-(4-hydroxybut-1-ynyl)-N-(2-methylpentan-3-yl)benzamide
CID 61471494
2-(4-hydroxybut-1-ynyl)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64644227
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62640326
2-pent-1-ynylbenzoic acid
CID 10419975
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475
methyl 3-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]propanoate
CID 61300517
N-butan-2-yl-2-iodobenzamide
CID 3344108

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide (CID 54922339) is N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide is CCC(C)NC(=O)c1ccccc1C#CCCO.
What is the InChIKey of N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is BCJCMFCYLCITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12(2)16-15(18)14-10-5-4-8-13(14)9-6-7-11-17/h4-5,8,10,12,17H,3,7,11H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide?
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 245.32 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-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 54922339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).