methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate

C20H24N2O4 — CID 118669142

IUPACmethyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(NC(=O)c2c(C)n(C)c3ccc(OC)cc23)CCC1
InChIInChI=1S/C20H24N2O4/c1-12-18(16-11-15(25-3)8-9-17(16)22(12)2)19(23)21-14-7-5-6-13(10-14)20(24)26-4/h8-11,14H,5-7H2,1-4H3,(H,21,23)
InChIKeySAKDPXHMMGPIEH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.88
Rot. Bonds4

About methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate

methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate (PubChem CID 118669142) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
PubChem CID118669142
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(NC(=O)c2c(C)n(C)c3ccc(OC)cc23)CCC1
InChIInChI=1S/C20H24N2O4/c1-12-18(16-11-15(25-3)8-9-17(16)22(12)2)19(23)21-14-7-5-6-13(10-14)20(24)26-4/h8-11,14H,5-7H2,1-4H3,(H,21,23)
InChIKeySAKDPXHMMGPIEH-UHFFFAOYSA-N
XLogP2.88
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate?
The IUPAC name of methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate (CID 118669142) is methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate?
The canonical SMILES for methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate is COC(=O)C1=CC(NC(=O)c2c(C)n(C)c3ccc(OC)cc23)CCC1.
What is the InChIKey of methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate?
The InChIKey is SAKDPXHMMGPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-18(16-11-15(25-3)8-9-17(16)22(12)2)19(23)21-14-7-5-6-13(10-14)20(24)26-4/h8-11,14H,5-7H2,1-4H3,(H,21,23).
What are the key properties of methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate?
methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate is sourced from PubChem (CID 118669142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).