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

C18H24N2O3 — CID 126454768

IUPACN-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COCC3(C)C)c12
InChIInChI=1S/C18H24N2O3/c1-4-23-14-7-5-6-13-17(14)12(9-19-13)8-16(21)20-15-10-22-11-18(15,2)3/h5-7,9,15,19H,4,8,10-11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyBJYIMUUWIWNHRG-OAHLLOKOSA-N
MW316.40 g/mol
LogP2.65
Rot. Bonds5

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

N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (PubChem CID 126454768) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
PubChem CID126454768
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COCC3(C)C)c12
InChIInChI=1S/C18H24N2O3/c1-4-23-14-7-5-6-13-17(14)12(9-19-13)8-16(21)20-15-10-22-11-18(15,2)3/h5-7,9,15,19H,4,8,10-11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyBJYIMUUWIWNHRG-OAHLLOKOSA-N
XLogP2.65
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
4-ethoxy-3-ethyl-1H-indole
CID 171816854
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125143497
2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
CID 125419727
1-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)ethanone
CID 125143627
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699636
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (CID 126454768) is N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COCC3(C)C)c12.
What is the InChIKey of N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The InChIKey is BJYIMUUWIWNHRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-23-14-7-5-6-13-17(14)12(9-19-13)8-16(21)20-15-10-22-11-18(15,2)3/h5-7,9,15,19H,4,8,10-11H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 126454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).