N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide

C17H23NO2 — CID 79470876

IUPACN-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C17H23NO2/c1-4-14(3)13-18(5-2)17(20)16-10-8-15(9-11-16)7-6-12-19/h8-11,14,19H,4-5,12-13H2,1-3H3
InChIKeyWWUBVSGOPPUYPD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide

N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide (PubChem CID 79470876) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
PubChem CID79470876
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C17H23NO2/c1-4-14(3)13-18(5-2)17(20)16-10-8-15(9-11-16)7-6-12-19/h8-11,14,19H,4-5,12-13H2,1-3H3
InChIKeyWWUBVSGOPPUYPD-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
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,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 107400546
N-ethyl-4-(ethylamino)-N-(2-methylbutyl)benzamide
CID 79470101
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)benzamide
CID 79470275
N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 115999998
N-ethyl-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79482908
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62923888
N-ethyl-5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2-methylbutyl)thiophene-2-carboxamide
CID 79990194
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
CID 79482914
N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 79471117
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide?
The IUPAC name of N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide (CID 79470876) is N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide.
What is the SMILES notation for N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide?
The canonical SMILES for N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide is CCC(C)CN(CC)C(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide?
The InChIKey is WWUBVSGOPPUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-14(3)13-18(5-2)17(20)16-10-8-15(9-11-16)7-6-12-19/h8-11,14,19H,4-5,12-13H2,1-3H3.
What are the key properties of N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide?
N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 79470876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).