5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide

C17H22N2O2 — CID 102868159

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C17H22N2O2/c1-13-7-8-14(4-3-9-18)12-16(13)17(21)19(10-11-20)15-5-2-6-15/h7-8,12,15,20H,2,5-6,9-11,18H2,1H3
InChIKeyACWJOVVUDOOZKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.29
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide

5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 102868159) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID102868159
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C17H22N2O2/c1-13-7-8-14(4-3-9-18)12-16(13)17(21)19(10-11-20)15-5-2-6-15/h7-8,12,15,20H,2,5-6,9-11,18H2,1H3
InChIKeyACWJOVVUDOOZKF-UHFFFAOYSA-N
XLogP1.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
N-cyclopentyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311329
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 65310484
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
CID 65310344
5-(3-aminoprop-1-ynyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 65310832
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 65311065
5-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586292
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 65311429

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide (CID 102868159) is 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(C#CCN)cc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is ACWJOVVUDOOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-7-8-14(4-3-9-18)12-16(13)17(21)19(10-11-20)15-5-2-6-15/h7-8,12,15,20H,2,5-6,9-11,18H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide?
5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 102868159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).