2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

C16H22N2O2 — CID 82960765

IUPAC2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1C#CCN)C(C)C
InChIInChI=1S/C16H22N2O2/c1-13(2)18(11-12-20-3)16(19)15-9-5-4-7-14(15)8-6-10-17/h4-5,7,9,13H,10-12,17H2,1-3H3
InChIKeyYRIMAAJKLUEBFI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.49
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide

2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (PubChem CID 82960765) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
PubChem CID82960765
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
SMILESCOCCN(C(=O)c1ccccc1C#CCN)C(C)C
InChIInChI=1S/C16H22N2O2/c1-13(2)18(11-12-20-3)16(19)15-9-5-4-7-14(15)8-6-10-17/h4-5,7,9,13H,10-12,17H2,1-3H3
InChIKeyYRIMAAJKLUEBFI-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82960300
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103190523
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
2-(3-aminoprop-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide (CID 82960765) is 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is COCCN(C(=O)c1ccccc1C#CCN)C(C)C.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is YRIMAAJKLUEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(2)18(11-12-20-3)16(19)15-9-5-4-7-14(15)8-6-10-17/h4-5,7,9,13H,10-12,17H2,1-3H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide?
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82960765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).