N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

C15H19NO2 — CID 54922346

IUPACN-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO2/c1-4-12(2)16(3)15(18)14-9-5-7-13(11-14)8-6-10-17/h5,7,9,11-12,17H,4,10H2,1-3H3
InChIKeyULYHEPDJOSWFRP-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.90
Rot. Bonds3

About N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (PubChem CID 54922346) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
PubChem CID54922346
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO2/c1-4-12(2)16(3)15(18)14-9-5-7-13(11-14)8-6-10-17/h5,7,9,11-12,17H,4,10H2,1-3H3
InChIKeyULYHEPDJOSWFRP-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-3-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 115999982
3-(4-hydroxybut-1-ynyl)-N-methyl-N-propan-2-ylbenzamide
CID 54922026
N-butan-2-yl-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921765
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112663392
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433728
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-4-methoxy-N-methylbenzamide
CID 61034218
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 115999918

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (CID 54922346) is N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is CCC(C)N(C)C(=O)c1cccc(C#CCO)c1.
What is the InChIKey of N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The InChIKey is ULYHEPDJOSWFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-12(2)16(3)15(18)14-9-5-7-13(11-14)8-6-10-17/h5,7,9,11-12,17H,4,10H2,1-3H3.
What are the key properties of N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide has a molecular weight of 245.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 54922346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).