2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide

C17H25N3O — CID 103190523

IUPAC2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1C#CCN)C(C)CN(C)C
InChIInChI=1S/C17H25N3O/c1-5-20(14(2)13-19(3)4)17(21)16-11-7-6-9-15(16)10-8-12-18/h6-7,9,11,14H,5,12-13,18H2,1-4H3
InChIKeyIKEFRQNPZSGVOK-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.41
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide

2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide (PubChem CID 103190523) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
PubChem CID103190523
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1C#CCN)C(C)CN(C)C
InChIInChI=1S/C17H25N3O/c1-5-20(14(2)13-19(3)4)17(21)16-11-7-6-9-15(16)10-8-12-18/h6-7,9,11,14H,5,12-13,18H2,1-4H3
InChIKeyIKEFRQNPZSGVOK-UHFFFAOYSA-N
XLogP1.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.41
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)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
CID 103190086
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-[2-(methylamino)ethyl]benzamide
CID 103188613
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103191098
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide (CID 103190523) is 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide is CCN(C(=O)c1ccccc1C#CCN)C(C)CN(C)C.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
The InChIKey is IKEFRQNPZSGVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(14(2)13-19(3)4)17(21)16-11-7-6-9-15(16)10-8-12-18/h6-7,9,11,14H,5,12-13,18H2,1-4H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide?
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 1.41, 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-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide is sourced from PubChem (CID 103190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).