N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide

C18H25NO2 — CID 81112077

IUPACN-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)ccc1C#CCCO
InChIInChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-12-15(4)9-10-16(17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3
InChIKeyYZYPUOZSYHYMDP-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.85
Rot. Bonds5

About N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide

N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (PubChem CID 81112077) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
PubChem CID81112077
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)ccc1C#CCCO
InChIInChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-12-15(4)9-10-16(17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3
InChIKeyYZYPUOZSYHYMDP-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxybut-1-ynyl)-5-methyl-N,N-dipropylbenzamide
CID 81111205
N,N-diethyl-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112466
2-(4-hydroxybut-1-ynyl)-5-methyl-N-(3-methylbutyl)benzamide
CID 81112469
N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide
CID 81460684
N-butyl-2-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
CID 81112825
2-(4-hydroxybut-1-ynyl)-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81112952
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-propylbenzamide
CID 81111571
N-[3-(dimethylamino)propyl]-2-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 81112055
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81111948
2-(3-aminoprop-1-ynyl)-5-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 81112737
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 81111949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (CID 81112077) is N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cc(C)ccc1C#CCCO.
What is the InChIKey of N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is YZYPUOZSYHYMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-12-15(4)9-10-16(17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3.
What are the key properties of N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 81112077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).