3-amino-N-hex-5-ynyl-2-hydroxybenzamide

C13H16N2O2 — CID 114158327

IUPAC3-amino-N-hex-5-ynyl-2-hydroxybenzamide
SMILESC#CCCCCNC(=O)c1cccc(N)c1O
InChIInChI=1S/C13H16N2O2/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(14)12(10)16/h1,6-8,16H,3-5,9,14H2,(H,15,17)
InChIKeyMOVUTVDUTRYSER-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-N-hex-5-ynyl-2-hydroxybenzamide

3-amino-N-hex-5-ynyl-2-hydroxybenzamide (PubChem CID 114158327) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-N-hex-5-ynyl-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-hex-5-ynyl-2-hydroxybenzamide
PubChem CID114158327
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-N-hex-5-ynyl-2-hydroxybenzamide
SMILESC#CCCCCNC(=O)c1cccc(N)c1O
InChIInChI=1S/C13H16N2O2/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(14)12(10)16/h1,6-8,16H,3-5,9,14H2,(H,15,17)
InChIKeyMOVUTVDUTRYSER-UHFFFAOYSA-N
XLogP1.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-hex-5-ynyl-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-hydroxy-N-pent-4-ynylbenzamide
CID 106219804
3-amino-2-bromo-N-pent-4-ynylbenzamide
CID 106219842
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
3-amino-2-hydroxy-N-pent-3-ynylbenzamide
CID 116642602
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110
2-iodo-N-pent-4-ynylbenzamide
CID 103709110

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-5-ynyl-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-hex-5-ynyl-2-hydroxybenzamide (CID 114158327) is 3-amino-N-hex-5-ynyl-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-hex-5-ynyl-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-hex-5-ynyl-2-hydroxybenzamide is C#CCCCCNC(=O)c1cccc(N)c1O.
What is the InChIKey of 3-amino-N-hex-5-ynyl-2-hydroxybenzamide?
The InChIKey is MOVUTVDUTRYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(14)12(10)16/h1,6-8,16H,3-5,9,14H2,(H,15,17).
What are the key properties of 3-amino-N-hex-5-ynyl-2-hydroxybenzamide?
3-amino-N-hex-5-ynyl-2-hydroxybenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-5-ynyl-2-hydroxybenzamide is sourced from PubChem (CID 114158327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).