[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate

C85H118N10O10 — CID 157133799

IUPAC[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESC=CCN(C)CCc1c[nH]c2cccc(OC(C)=O)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C)C(C)C)c12.CCCN(CCC)CCc1c[nH]c2cccc(OC(C)=O)c12.CCN(CCc1c[nH]c2cccc(OC(C)=O)c12)C(C)C
InChIInChI=1S/2C18H26N2O2.C17H24N2O2.C16H22N2O2.C16H20N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21;1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-5-19(12(2)3)10-9-14-11-18-15-7-6-8-16(17(14)15)21-13(4)20;1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19;1-4-9-18(3)10-8-13-11-17-14-6-5-7-15(16(13)14)20-12(2)19/h6-8,11-13,19H,9-10H2,1-5H3;6-8,13,19H,4-5,9-12H2,1-3H3;6-8,11-12,18H,5,9-10H2,1-4H3;5-7,10-11,17H,8-9H2,1-4H3;4-7,11,17H,1,8-10H2,2-3H3
InChIKeyAJJPCJOZHNGESG-UHFFFAOYSA-N
MW1439.94 g/mol
LogP16.61
Rot. Bonds31

About [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate

[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate (PubChem CID 157133799) has the molecular formula C85H118N10O10 and a molecular weight of 1439.94 g/mol. Its IUPAC name is [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate.

Molecular Properties

Compound Name[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
PubChem CID157133799
Molecular FormulaC85H118N10O10
Molecular Weight1439.94 g/mol
Exact Mass1438.90
IUPAC Name[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate
SMILESC=CCN(C)CCc1c[nH]c2cccc(OC(C)=O)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C)C(C)C)c12.CCCN(CCC)CCc1c[nH]c2cccc(OC(C)=O)c12.CCN(CCc1c[nH]c2cccc(OC(C)=O)c12)C(C)C
InChIInChI=1S/2C18H26N2O2.C17H24N2O2.C16H22N2O2.C16H20N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21;1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-5-19(12(2)3)10-9-14-11-18-15-7-6-8-16(17(14)15)21-13(4)20;1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19;1-4-9-18(3)10-8-13-11-17-14-6-5-7-15(16(13)14)20-12(2)19/h6-8,11-13,19H,9-10H2,1-5H3;6-8,13,19H,4-5,9-12H2,1-3H3;6-8,11-12,18H,5,9-10H2,1-4H3;5-7,10-11,17H,8-9H2,1-4H3;4-7,11,17H,1,8-10H2,2-3H3
InChIKeyAJJPCJOZHNGESG-UHFFFAOYSA-N
XLogP16.61
TPSA226.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.94
LogP ≤ 516.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate with MolForge

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Related Compounds

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4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate (CID 157133799) is [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate.
What is the SMILES notation for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The canonical SMILES for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate is C=CCN(C)CCc1c[nH]c2cccc(OC(C)=O)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C(C)C)C(C)C)c12.CC(=O)Oc1cccc2[nH]cc(CCN(C)C(C)C)c12.CCCN(CCC)CCc1c[nH]c2cccc(OC(C)=O)c12.CCN(CCc1c[nH]c2cccc(OC(C)=O)c12)C(C)C.
What is the InChIKey of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
The InChIKey is AJJPCJOZHNGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N2O2.C17H24N2O2.C16H22N2O2.C16H20N2O2/c1-12(2)20(13(3)4)10-9-15-11-19-16-7-6-8-17(18(15)16)22-14(5)21;1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21;1-5-19(12(2)3)10-9-14-11-18-15-7-6-8-16(17(14)15)21-13(4)20;1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19;1-4-9-18(3)10-8-13-11-17-14-6-5-7-15(16(13)14)20-12(2)19/h6-8,11-13,19H,9-10H2,1-5H3;6-8,13,19H,4-5,9-12H2,1-3H3;6-8,11-12,18H,5,9-10H2,1-4H3;5-7,10-11,17H,8-9H2,1-4H3;4-7,11,17H,1,8-10H2,2-3H3.
What are the key properties of [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate?
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate has a molecular weight of 1439.94 g/mol, XLogP of 16.61, 31 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-(dipropylamino)ethyl]-1H-indol-4-yl] acetate;[3-[2-[ethyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-4-yl] acetate;[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate is sourced from PubChem (CID 157133799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).