ethane;methyl 3-(1-ethylindol-2-yl)propanoate

C18H29NO2 — CID 91236893

IUPACethane;methyl 3-(1-ethylindol-2-yl)propanoate
SMILESCC.CC.CCn1c(CCC(=O)OC)cc2ccccc21
InChIInChI=1S/C14H17NO2.2C2H6/c1-3-15-12(8-9-14(16)17-2)10-11-6-4-5-7-13(11)15;2*1-2/h4-7,10H,3,8-9H2,1-2H3;2*1-2H3
InChIKeyIHFBISOERNVRGO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.82
Rot. Bonds4

About ethane;methyl 3-(1-ethylindol-2-yl)propanoate

ethane;methyl 3-(1-ethylindol-2-yl)propanoate (PubChem CID 91236893) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethane;methyl 3-(1-ethylindol-2-yl)propanoate.

Molecular Properties

Compound Nameethane;methyl 3-(1-ethylindol-2-yl)propanoate
PubChem CID91236893
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethane;methyl 3-(1-ethylindol-2-yl)propanoate
SMILESCC.CC.CCn1c(CCC(=O)OC)cc2ccccc21
InChIInChI=1S/C14H17NO2.2C2H6/c1-3-15-12(8-9-14(16)17-2)10-11-6-4-5-7-13(11)15;2*1-2/h4-7,10H,3,8-9H2,1-2H3;2*1-2H3
InChIKeyIHFBISOERNVRGO-UHFFFAOYSA-N
XLogP4.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
2-(1-ethylindol-2-yl)acetamide
CID 67469018
2-(2-propylindol-1-yl)acetic acid
CID 139491348
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
2-(ethoxymethyl)-1-ethylindole
CID 117173973
3-(1-ethyl-5-methylindol-2-yl)propanoic acid
CID 117121517
N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
CID 6498719
1-ethylindole-2-carbohydrazide
CID 166595239
methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
CID 61030565
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-(1-ethylindol-2-yl)propanoate?
The IUPAC name of ethane;methyl 3-(1-ethylindol-2-yl)propanoate (CID 91236893) is ethane;methyl 3-(1-ethylindol-2-yl)propanoate.
What is the SMILES notation for ethane;methyl 3-(1-ethylindol-2-yl)propanoate?
The canonical SMILES for ethane;methyl 3-(1-ethylindol-2-yl)propanoate is CC.CC.CCn1c(CCC(=O)OC)cc2ccccc21.
What is the InChIKey of ethane;methyl 3-(1-ethylindol-2-yl)propanoate?
The InChIKey is IHFBISOERNVRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.2C2H6/c1-3-15-12(8-9-14(16)17-2)10-11-6-4-5-7-13(11)15;2*1-2/h4-7,10H,3,8-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;methyl 3-(1-ethylindol-2-yl)propanoate?
ethane;methyl 3-(1-ethylindol-2-yl)propanoate has a molecular weight of 291.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-(1-ethylindol-2-yl)propanoate is sourced from PubChem (CID 91236893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).