2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate

C17H24N2O4 — CID 168931038

IUPAC2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
SMILESCOCCOC(=O)n1cc(CCN(C)C)c2ccc(OC)cc21
InChIInChI=1S/C17H24N2O4/c1-18(2)8-7-13-12-19(17(20)23-10-9-21-3)16-11-14(22-4)5-6-15(13)16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYBTNWXQEUFHHBN-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.39
Rot. Bonds7

About 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate

2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate (PubChem CID 168931038) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
PubChem CID168931038
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
SMILESCOCCOC(=O)n1cc(CCN(C)C)c2ccc(OC)cc21
InChIInChI=1S/C17H24N2O4/c1-18(2)8-7-13-12-19(17(20)23-10-9-21-3)16-11-14(22-4)5-6-15(13)16/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYBTNWXQEUFHHBN-UHFFFAOYSA-N
XLogP2.39
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931262
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930954
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930953
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
[(8Z,11Z)-heptadeca-8,11-dienyl] 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxylate
CID 166138525
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate?
The IUPAC name of 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate (CID 168931038) is 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate is COCCOC(=O)n1cc(CCN(C)C)c2ccc(OC)cc21.
What is the InChIKey of 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate?
The InChIKey is YBTNWXQEUFHHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-18(2)8-7-13-12-19(17(20)23-10-9-21-3)16-11-14(22-4)5-6-15(13)16/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate?
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate is sourced from PubChem (CID 168931038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).