5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide

C14H18N2O — CID 65310729

IUPAC5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C14H18N2O/c1-3-9-16-14(17)13-10-12(5-4-8-15)7-6-11(13)2/h6-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyCMGGAROJGDLVGY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.45
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide

5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide (PubChem CID 65310729) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
PubChem CID65310729
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C14H18N2O/c1-3-9-16-14(17)13-10-12(5-4-8-15)7-6-11(13)2/h6-7,10H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyCMGGAROJGDLVGY-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
5-(3-aminoprop-1-ynyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 65310134
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-2-yl)-2-methylbenzamide
CID 65310546
5-(3-aminoprop-1-ynyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 65310832
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
CID 65310924
5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
5-(3-aminoprop-1-ynyl)-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383206
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
CID 65310344

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide (CID 65310729) is 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide is CCCNC(=O)c1cc(C#CCN)ccc1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide?
The InChIKey is CMGGAROJGDLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-9-16-14(17)13-10-12(5-4-8-15)7-6-11(13)2/h6-7,10H,3,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide?
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide is sourced from PubChem (CID 65310729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).