2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide

C17H23NO2 — CID 63960510

IUPAC2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H23NO2/c1-5-17(2,3)18(4)16(20)15-12-7-6-10-14(15)11-8-9-13-19/h6-7,10,12,19H,5,9,13H2,1-4H3
InChIKeyRZDOIVUUCJLFPV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds4

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

2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 63960510) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID63960510
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccccc1C#CCCO
InChIInChI=1S/C17H23NO2/c1-5-17(2,3)18(4)16(20)15-12-7-6-10-14(15)11-8-9-13-19/h6-7,10,12,19H,5,9,13H2,1-4H3
InChIKeyRZDOIVUUCJLFPV-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
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

2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960344
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 81111695
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960348
2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858720
N-[2-[ethyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62640326
methyl 2-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 54922071
2-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60815894
2-pent-1-ynylbenzoic acid
CID 10419975
2-(4-hydroxybut-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641420
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64522020

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide (CID 63960510) is 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C)C(=O)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is RZDOIVUUCJLFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-17(2,3)18(4)16(20)15-12-7-6-10-14(15)11-8-9-13-19/h6-7,10,12,19H,5,9,13H2,1-4H3.
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide?
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 63960510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).