3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide

C13H16N2O2 — CID 106223392

IUPAC3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H16N2O2/c1-4-9(5-2)15-13(16)10-7-6-8-11(14)12(10)17-3/h1,6-9H,5,14H2,2-3H3,(H,15,16)
InChIKeyYNNWYJRTIUWYBG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide

3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide (PubChem CID 106223392) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide
PubChem CID106223392
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cccc(N)c1OC
InChIInChI=1S/C13H16N2O2/c1-4-9(5-2)15-13(16)10-7-6-8-11(14)12(10)17-3/h1,6-9H,5,14H2,2-3H3,(H,15,16)
InChIKeyYNNWYJRTIUWYBG-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-pent-1-yn-3-ylbenzamide
CID 106223380
2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
2-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579350
2-bromo-N-pent-1-yn-3-ylbenzamide
CID 103579076
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
CID 114160322
2-amino-4,5-difluoro-N-pent-1-yn-3-ylbenzamide
CID 106223425
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide?
The IUPAC name of 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide (CID 106223392) is 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide.
What is the SMILES notation for 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide?
The canonical SMILES for 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide is C#CC(CC)NC(=O)c1cccc(N)c1OC.
What is the InChIKey of 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide?
The InChIKey is YNNWYJRTIUWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-9(5-2)15-13(16)10-7-6-8-11(14)12(10)17-3/h1,6-9H,5,14H2,2-3H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide?
3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide is sourced from PubChem (CID 106223392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).