1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide

C31H43N3O5 — CID 170703879

IUPAC1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
SMILESCN(CCOCCOCCCC1CCCC1)Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1
InChIInChI=1S/C31H43N3O5/c1-33(15-18-38-21-20-37-17-5-9-25-6-2-3-7-25)24-26-8-4-10-29(22-26)39-19-16-34-14-13-27-11-12-28(23-30(27)34)31(35)32-36/h4,8,10-14,22-23,25,36H,2-3,5-7,9,15-21,24H2,1H3,(H,32,35)
InChIKeyGYDDYNGMPQKRHD-UHFFFAOYSA-N
MW537.70 g/mol
LogP5.27
Rot. Bonds17

About 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide

1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide (PubChem CID 170703879) has the molecular formula C31H43N3O5 and a molecular weight of 537.70 g/mol. Its IUPAC name is 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
PubChem CID170703879
Molecular FormulaC31H43N3O5
Molecular Weight537.70 g/mol
Exact Mass537.32
IUPAC Name1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
SMILESCN(CCOCCOCCCC1CCCC1)Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1
InChIInChI=1S/C31H43N3O5/c1-33(15-18-38-21-20-37-17-5-9-25-6-2-3-7-25)24-26-8-4-10-29(22-26)39-19-16-34-14-13-27-11-12-28(23-30(27)34)31(35)32-36/h4,8,10-14,22-23,25,36H,2-3,5-7,9,15-21,24H2,1H3,(H,32,35)
InChIKeyGYDDYNGMPQKRHD-UHFFFAOYSA-N
XLogP5.27
TPSA85.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The IUPAC name of 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide (CID 170703879) is 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide.
What is the SMILES notation for 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The canonical SMILES for 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide is CN(CCOCCOCCCC1CCCC1)Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1.
What is the InChIKey of 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The InChIKey is GYDDYNGMPQKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O5/c1-33(15-18-38-21-20-37-17-5-9-25-6-2-3-7-25)24-26-8-4-10-29(22-26)39-19-16-34-14-13-27-11-12-28(23-30(27)34)31(35)32-36/h4,8,10-14,22-23,25,36H,2-3,5-7,9,15-21,24H2,1H3,(H,32,35).
What are the key properties of 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide has a molecular weight of 537.70 g/mol, XLogP of 5.27, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide is sourced from PubChem (CID 170703879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).