methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

C20H27N3O4 — CID 11696432

IUPACmethyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(=O)OC
InChIInChI=1S/C20H27N3O4/c1-7-19(3)15-10-8-9-11-16(15)22(4)20(19)12-14(17(24)26-5)13(2)23(20)21-18(25)27-6/h8-11H,7,12H2,1-6H3,(H,21,25)
InChIKeySZYFDQWJEZGGDA-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.92
Rot. Bonds3

About methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (PubChem CID 11696432) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
PubChem CID11696432
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namemethyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(=O)OC
InChIInChI=1S/C20H27N3O4/c1-7-19(3)15-10-8-9-11-16(15)22(4)20(19)12-14(17(24)26-5)13(2)23(20)21-18(25)27-6/h8-11H,7,12H2,1-6H3,(H,21,25)
InChIKeySZYFDQWJEZGGDA-UHFFFAOYSA-N
XLogP2.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The IUPAC name of methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (CID 11696432) is methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.
What is the SMILES notation for methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The canonical SMILES for methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is CCC1(C)c2ccccc2N(C)C12CC(C(=O)OC)=C(C)N2NC(=O)OC.
What is the InChIKey of methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The InChIKey is SZYFDQWJEZGGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-7-19(3)15-10-8-9-11-16(15)22(4)20(19)12-14(17(24)26-5)13(2)23(20)21-18(25)27-6/h8-11H,7,12H2,1-6H3,(H,21,25).
What are the key properties of methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3'-ethyl-1-(methoxycarbonylamino)-1',3',5-trimethylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is sourced from PubChem (CID 11696432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).