N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide

C18H19N3O4 — CID 87108850

IUPACN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19N3O4/c22-17(20-24)14-5-7-15(8-6-14)25-12-10-19-18(23)21-11-9-13-3-1-2-4-16(13)21/h1-8,24H,9-12H2,(H,19,23)(H,20,22)
InChIKeyRTTGRJCRSSAYHE-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide

N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 87108850) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID87108850
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NO)c1ccc(OCCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19N3O4/c22-17(20-24)14-5-7-15(8-6-14)25-12-10-19-18(23)21-11-9-13-3-1-2-4-16(13)21/h1-8,24H,9-12H2,(H,19,23)(H,20,22)
InChIKeyRTTGRJCRSSAYHE-UHFFFAOYSA-N
XLogP1.96
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112974330
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide (CID 87108850) is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide is O=C(NO)c1ccc(OCCNC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is RTTGRJCRSSAYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(20-24)14-5-7-15(8-6-14)25-12-10-19-18(23)21-11-9-13-3-1-2-4-16(13)21/h1-8,24H,9-12H2,(H,19,23)(H,20,22).
What are the key properties of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide?
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 87108850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).