2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide

C17H20N2O3 — CID 125419727

IUPAC2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
SMILESC#CC[C@H](O)CNC(=O)Cc1c[nH]c2cccc(OCC)c12
InChIInChI=1S/C17H20N2O3/c1-3-6-13(20)11-19-16(21)9-12-10-18-14-7-5-8-15(17(12)14)22-4-2/h1,5,7-8,10,13,18,20H,4,6,9,11H2,2H3,(H,19,21)/t13-/m0/s1
InChIKeyKVZRQHXECUMDMF-ZDUSSCGKSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds7

About 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide

2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide (PubChem CID 125419727) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
PubChem CID125419727
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
SMILESC#CC[C@H](O)CNC(=O)Cc1c[nH]c2cccc(OCC)c12
InChIInChI=1S/C17H20N2O3/c1-3-6-13(20)11-19-16(21)9-12-10-18-14-7-5-8-15(17(12)14)22-4-2/h1,5,7-8,10,13,18,20H,4,6,9,11H2,2H3,(H,19,21)/t13-/m0/s1
InChIKeyKVZRQHXECUMDMF-ZDUSSCGKSA-N
XLogP1.61
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125143497
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
4-ethoxy-3-ethyl-1H-indole
CID 171816854
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 126454768
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide?
The IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide (CID 125419727) is 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide is C#CC[C@H](O)CNC(=O)Cc1c[nH]c2cccc(OCC)c12.
What is the InChIKey of 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide?
The InChIKey is KVZRQHXECUMDMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-6-13(20)11-19-16(21)9-12-10-18-14-7-5-8-15(17(12)14)22-4-2/h1,5,7-8,10,13,18,20H,4,6,9,11H2,2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide?
2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide is sourced from PubChem (CID 125419727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).