N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide

C19H20N2O3 — CID 171403797

IUPACN-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide
SMILESC#CCCCCNC(=O)COc1ccc2ccn(C(=O)C=C)c2c1
InChIInChI=1S/C19H20N2O3/c1-3-5-6-7-11-20-18(22)14-24-16-9-8-15-10-12-21(17(15)13-16)19(23)4-2/h1,4,8-10,12-13H,2,5-7,11,14H2,(H,20,22)
InChIKeyWGOLRDSDQLFKPH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.77
Rot. Bonds8

About N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide

N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide (PubChem CID 171403797) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide
PubChem CID171403797
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide
SMILESC#CCCCCNC(=O)COc1ccc2ccn(C(=O)C=C)c2c1
InChIInChI=1S/C19H20N2O3/c1-3-5-6-7-11-20-18(22)14-24-16-9-8-15-10-12-21(17(15)13-16)19(23)4-2/h1,4,8-10,12-13H,2,5-7,11,14H2,(H,20,22)
InChIKeyWGOLRDSDQLFKPH-UHFFFAOYSA-N
XLogP2.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide 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-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
N-hex-5-ynyl-1-prop-2-enoylindole-4-carboxamide
CID 171403791
2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide
CID 171403790
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
CID 106219813
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
CID 62668489
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide?
The IUPAC name of N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide (CID 171403797) is N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide.
What is the SMILES notation for N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide?
The canonical SMILES for N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide is C#CCCCCNC(=O)COc1ccc2ccn(C(=O)C=C)c2c1.
What is the InChIKey of N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide?
The InChIKey is WGOLRDSDQLFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-5-6-7-11-20-18(22)14-24-16-9-8-15-10-12-21(17(15)13-16)19(23)4-2/h1,4,8-10,12-13H,2,5-7,11,14H2,(H,20,22).
What are the key properties of N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide?
N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide has a molecular weight of 324.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-(1-prop-2-enoylindol-6-yl)oxyacetamide is sourced from PubChem (CID 171403797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).