2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate

C23H30N2O3 — CID 155773021

IUPAC2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate
SMILESCC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)18-10-8-17(9-11-18)15-25-20-6-5-7-22(26)19(20)14-21(25)23(27)28-13-12-24(3)4/h8-11,14,16H,5-7,12-13,15H2,1-4H3
InChIKeyRXOUOYPXAXVGKU-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.90
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate

2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate (PubChem CID 155773021) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate
PubChem CID155773021
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate
SMILESCC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)18-10-8-17(9-11-18)15-25-20-6-5-7-22(26)19(20)14-21(25)23(27)28-13-12-24(3)4/h8-11,14,16H,5-7,12-13,15H2,1-4H3
InChIKeyRXOUOYPXAXVGKU-UHFFFAOYSA-N
XLogP3.90
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate (CID 155773021) is 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate is CC(C)c1ccc(Cn2c(C(=O)OCCN(C)C)cc3c2CCCC3=O)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?
The InChIKey is RXOUOYPXAXVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)18-10-8-17(9-11-18)15-25-20-6-5-7-22(26)19(20)14-21(25)23(27)28-13-12-24(3)4/h8-11,14,16H,5-7,12-13,15H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate?
2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-oxo-1-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-5H-indole-2-carboxylate is sourced from PubChem (CID 155773021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).