N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide

C15H19NO2 — CID 60803097

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C15H19NO2/c1-15(2,3)11-14(18)16-13-9-5-4-7-12(13)8-6-10-17/h4-5,7,9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyNUYZFHMOZRBNNO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 60803097) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
PubChem CID60803097
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C15H19NO2/c1-15(2,3)11-14(18)16-13-9-5-4-7-12(13)8-6-10-17/h4-5,7,9,17H,10-11H2,1-3H3,(H,16,18)
InChIKeyNUYZFHMOZRBNNO-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
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-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232619
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide (CID 60803097) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is NUYZFHMOZRBNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)11-14(18)16-13-9-5-4-7-12(13)8-6-10-17/h4-5,7,9,17H,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 245.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 60803097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).