N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide

C15H19NO3 — CID 60816695

IUPACN-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3/c1-2-19-11-5-9-16-15(18)14-8-3-6-13(12-14)7-4-10-17/h3,6,8,12,17H,2,5,9-11H2,1H3,(H,16,18)
InChIKeyBPHGAWLZRVTVRC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds6

About N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816695) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816695
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3/c1-2-19-11-5-9-16-15(18)14-8-3-6-13(12-14)7-4-10-17/h3,6,8,12,17H,2,5,9-11H2,1H3,(H,16,18)
InChIKeyBPHGAWLZRVTVRC-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide 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-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
3-(cyanomethyl)-N-(3-ethoxypropyl)benzamide
CID 82179019
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-ethoxypropyl)-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 115999862
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 60816695) is N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide is CCOCCCNC(=O)c1cccc(C#CCO)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BPHGAWLZRVTVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-11-5-9-16-15(18)14-8-3-6-13(12-14)7-4-10-17/h3,6,8,12,17H,2,5,9-11H2,1H3,(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).