ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate

C16H22N2O3 — CID 162733967

IUPACethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate
SMILESCCOC(=O)Oc1cccc2c1c(CCNC)cn2CC
InChIInChI=1S/C16H22N2O3/c1-4-18-11-12(9-10-17-3)15-13(18)7-6-8-14(15)21-16(19)20-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyACCXUCHCJRPNSC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.96
Rot. Bonds6

About ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate

ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate (PubChem CID 162733967) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate
PubChem CID162733967
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate
SMILESCCOC(=O)Oc1cccc2c1c(CCNC)cn2CC
InChIInChI=1S/C16H22N2O3/c1-4-18-11-12(9-10-17-3)15-13(18)7-6-8-14(15)21-16(19)20-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyACCXUCHCJRPNSC-UHFFFAOYSA-N
XLogP2.96
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate
CID 167469253
[2-(cyanomethyl)phenyl] ethyl carbonate
CID 165430803
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
1-(1-ethyl-3-methylindol-4-yl)propan-2-one
CID 117204377
[5-(chloromethyl)-1-[(2,6-difluorophenyl)methyl]-6-[4-(methylcarbamoyl)phenoxy]-4-oxoquinolin-3-yl] ethyl carbonate
CID 70024621
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
CID 90953243

Frequently Asked Questions

What is the IUPAC name of ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate?
The IUPAC name of ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate (CID 162733967) is ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate.
What is the SMILES notation for ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate?
The canonical SMILES for ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate is CCOC(=O)Oc1cccc2c1c(CCNC)cn2CC.
What is the InChIKey of ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate?
The InChIKey is ACCXUCHCJRPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-18-11-12(9-10-17-3)15-13(18)7-6-8-14(15)21-16(19)20-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate?
ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate has a molecular weight of 290.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-ethyl-3-[2-(methylamino)ethyl]indol-4-yl] carbonate is sourced from PubChem (CID 162733967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).