1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide

C26H24N4O5 — CID 123131721

IUPAC1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)NO)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N4O5/c1-2-35-19-13-11-18(12-14-19)28-26(33)23(21-15-27-22-6-4-3-5-20(21)22)29-24(31)16-7-9-17(10-8-16)25(32)30-34/h3-15,23,27,34H,2H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/m0/s1
InChIKeyTWXUKOFEUQOKJU-QHCPKHFHSA-N
MW472.50 g/mol
LogP3.80
Rot. Bonds8

About 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 123131721) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID123131721
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)NO)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N4O5/c1-2-35-19-13-11-18(12-14-19)28-26(33)23(21-15-27-22-6-4-3-5-20(21)22)29-24(31)16-7-9-17(10-8-16)25(32)30-34/h3-15,23,27,34H,2H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/m0/s1
InChIKeyTWXUKOFEUQOKJU-QHCPKHFHSA-N
XLogP3.80
TPSA132.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 123131721) is 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide is CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C(=O)NO)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is TWXUKOFEUQOKJU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-2-35-19-13-11-18(12-14-19)28-26(33)23(21-15-27-22-6-4-3-5-20(21)22)29-24(31)16-7-9-17(10-8-16)25(32)30-34/h3-15,23,27,34H,2H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/m0/s1.
What are the key properties of 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 472.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-2-(4-ethoxyanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 123131721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).