1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide

C24H28N2O3 — CID 92628445

IUPAC1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide
SMILESCOCCn1c(C)c(C(=O)N(C)Cc2ccc3c(c2)C[C@H](C)O3)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-16-13-19-14-18(9-10-22(19)29-16)15-25(3)24(27)23-17(2)26(11-12-28-4)21-8-6-5-7-20(21)23/h5-10,14,16H,11-13,15H2,1-4H3/t16-/m0/s1
InChIKeyQECWCCYFSAUXNU-INIZCTEOSA-N
MW392.50 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide

1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide (PubChem CID 92628445) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide
PubChem CID92628445
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide
SMILESCOCCn1c(C)c(C(=O)N(C)Cc2ccc3c(c2)C[C@H](C)O3)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-16-13-19-14-18(9-10-22(19)29-16)15-25(3)24(27)23-17(2)26(11-12-28-4)21-8-6-5-7-20(21)23/h5-10,14,16H,11-13,15H2,1-4H3/t16-/m0/s1
InChIKeyQECWCCYFSAUXNU-INIZCTEOSA-N
XLogP4.19
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide (CID 92628445) is 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide is COCCn1c(C)c(C(=O)N(C)Cc2ccc3c(c2)C[C@H](C)O3)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide?
The InChIKey is QECWCCYFSAUXNU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-13-19-14-18(9-10-22(19)29-16)15-25(3)24(27)23-17(2)26(11-12-28-4)21-8-6-5-7-20(21)23/h5-10,14,16H,11-13,15H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide?
1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N,2-dimethyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 92628445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).