methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate

C29H35N3O4 — CID 146403209

IUPACmethyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCc1ccccc1N(CC)C(=O)Cn1c(C(=O)NC2CCC(C(=O)OC)CC2)cc2ccccc21
InChIInChI=1S/C29H35N3O4/c1-4-20-10-6-8-12-24(20)31(5-2)27(33)19-32-25-13-9-7-11-22(25)18-26(32)28(34)30-23-16-14-21(15-17-23)29(35)36-3/h6-13,18,21,23H,4-5,14-17,19H2,1-3H3,(H,30,34)
InChIKeyUXZVFEWAMNXAIZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.72
Rot. Bonds8

About methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate

methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 146403209) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID146403209
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC Namemethyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCc1ccccc1N(CC)C(=O)Cn1c(C(=O)NC2CCC(C(=O)OC)CC2)cc2ccccc21
InChIInChI=1S/C29H35N3O4/c1-4-20-10-6-8-12-24(20)31(5-2)27(33)19-32-25-13-9-7-11-22(25)18-26(32)28(34)30-23-16-14-21(15-17-23)29(35)36-3/h6-13,18,21,23H,4-5,14-17,19H2,1-3H3,(H,30,34)
InChIKeyUXZVFEWAMNXAIZ-UHFFFAOYSA-N
XLogP4.72
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate (CID 146403209) is methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate is CCc1ccccc1N(CC)C(=O)Cn1c(C(=O)NC2CCC(C(=O)OC)CC2)cc2ccccc21.
What is the InChIKey of methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is UXZVFEWAMNXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-4-20-10-6-8-12-24(20)31(5-2)27(33)19-32-25-13-9-7-11-22(25)18-26(32)28(34)30-23-16-14-21(15-17-23)29(35)36-3/h6-13,18,21,23H,4-5,14-17,19H2,1-3H3,(H,30,34).
What are the key properties of methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 489.62 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[2-(N,2-diethylanilino)-2-oxoethyl]indole-2-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 146403209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).