N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide

C26H25N3O5 — CID 176898905

IUPACN-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
SMILESCOc1ccc(OCCn2c(C)c(C(=O)Nc3ccc(C(=O)NO)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O5/c1-17-24(26(31)27-19-9-7-18(8-10-19)25(30)28-32)22-5-3-4-6-23(22)29(17)15-16-34-21-13-11-20(33-2)12-14-21/h3-14,32H,15-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHTRCSBDCQSQIRV-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.41
Rot. Bonds8

About N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide

N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide (PubChem CID 176898905) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
PubChem CID176898905
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
SMILESCOc1ccc(OCCn2c(C)c(C(=O)Nc3ccc(C(=O)NO)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O5/c1-17-24(26(31)27-19-9-7-18(8-10-19)25(30)28-32)22-5-3-4-6-23(22)29(17)15-16-34-21-13-11-20(33-2)12-14-21/h3-14,32H,15-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHTRCSBDCQSQIRV-UHFFFAOYSA-N
XLogP4.41
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 46500469
N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
CID 7709107
1-[1-[2-(3,4-dimethylphenoxy)ethyl]-2-methylindol-3-yl]ethanone
CID 21380818
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide?
The IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide (CID 176898905) is N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide?
The canonical SMILES for N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide is COc1ccc(OCCn2c(C)c(C(=O)Nc3ccc(C(=O)NO)cc3)c3ccccc32)cc1.
What is the InChIKey of N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide?
The InChIKey is HTRCSBDCQSQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-24(26(31)27-19-9-7-18(8-10-19)25(30)28-32)22-5-3-4-6-23(22)29(17)15-16-34-21-13-11-20(33-2)12-14-21/h3-14,32H,15-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide?
N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 176898905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).