3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide

C11H11NO3 — CID 61034076

IUPAC3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C#CCO
InChIInChI=1S/C11H11NO3/c1-15-10-5-4-9(11(12)14)7-8(10)3-2-6-13/h4-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyCSGOVWFPYZYJKA-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.14
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide

3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide (PubChem CID 61034076) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
PubChem CID61034076
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C#CCO
InChIInChI=1S/C11H11NO3/c1-15-10-5-4-9(11(12)14)7-8(10)3-2-6-13/h4-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyCSGOVWFPYZYJKA-UHFFFAOYSA-N
XLogP0.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide 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

N-(2-amino-2-oxoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 103103830
N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61233776
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61034206
2-[[3-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]methylsulfanyl]acetamide
CID 114231350
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 61034335
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 64598050
methyl 4-methoxy-3-(3-sulfanylprop-1-ynyl)benzoate
CID 169487411
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-pyridazin-3-ylbenzamide
CID 116787556
N-butyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034198
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034091
3-(2-methoxy-5-nitrophenyl)prop-2-yn-1-ol
CID 169485541
3-[5-(3-hydroxyprop-1-ynyl)-2,4-dimethoxyphenyl]prop-2-yn-1-ol
CID 71346014

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide (CID 61034076) is 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The InChIKey is CSGOVWFPYZYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10-5-4-9(11(12)14)7-8(10)3-2-6-13/h4-5,7,13H,6H2,1H3,(H2,12,14).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide has a molecular weight of 205.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide is sourced from PubChem (CID 61034076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).