N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide

C18H25N3O4 — CID 90499186

IUPACN'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H25N3O4/c22-16(19-7-8-21-9-11-25-12-10-21)17(23)20-13-18(24)6-5-14-3-1-2-4-15(14)18/h1-4,24H,5-13H2,(H,19,22)(H,20,23)
InChIKeyWHDXNPWVTLOPGV-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.62
Rot. Bonds5

About N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 90499186) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID90499186
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H25N3O4/c22-16(19-7-8-21-9-11-25-12-10-21)17(23)20-13-18(24)6-5-14-3-1-2-4-15(14)18/h1-4,24H,5-13H2,(H,19,22)(H,20,23)
InChIKeyWHDXNPWVTLOPGV-UHFFFAOYSA-N
XLogP-0.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Proline scaffold, 15
CID 42618113
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782135
N1-(4-fluorobenzyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782200
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
2-(benzyloxy)-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631200
4-ethyl-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
CID 91631203
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 3228801
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 3228802
4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
CID 164631233
2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide
CID 7436213
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide
CID 7436215

Frequently Asked Questions

What is the IUPAC name of N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 90499186) is N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is WHDXNPWVTLOPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-16(19-7-8-21-9-11-25-12-10-21)17(23)20-13-18(24)6-5-14-3-1-2-4-15(14)18/h1-4,24H,5-13H2,(H,19,22)(H,20,23).
What are the key properties of N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 347.42 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 90499186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).