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

C13H16N2O2 — CID 114160322

IUPAC4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-4-10(5-2)15-13(16)9-6-7-11(14)12(8-9)17-3/h1,6-8,10H,5,14H2,2-3H3,(H,15,16)
InChIKeyGPRACQWSKTVCNF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide

4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide (PubChem CID 114160322) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
PubChem CID114160322
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-4-10(5-2)15-13(16)9-6-7-11(14)12(8-9)17-3/h1,6-8,10H,5,14H2,2-3H3,(H,15,16)
InChIKeyGPRACQWSKTVCNF-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

3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide
CID 103579091
methyl (2S)-2-[(4-amino-3-methoxybenzoyl)amino]pentanoate
CID 59948374
2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
N-[(3R)-hex-1-yn-3-yl]-3-methoxy-4-nitrobenzamide
CID 124680961
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide
CID 106223392
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide?
The IUPAC name of 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide (CID 114160322) is 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide?
The canonical SMILES for 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide is C#CC(CC)NC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide?
The InChIKey is GPRACQWSKTVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-10(5-2)15-13(16)9-6-7-11(14)12(8-9)17-3/h1,6-8,10H,5,14H2,2-3H3,(H,15,16).
What are the key properties of 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide?
4-amino-3-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 4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide is sourced from PubChem (CID 114160322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).