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

C15H20N2O4 — CID 91631230

IUPACN'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c1-21-7-6-16-13(18)14(19)17-10-15(20)8-11-4-2-3-5-12(11)9-15/h2-5,20H,6-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSNPHMGQSRIXNG-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.60
Rot. Bonds5

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

N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 91631230) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide
PubChem CID91631230
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C15H20N2O4/c1-21-7-6-16-13(18)14(19)17-10-15(20)8-11-4-2-3-5-12(11)9-15/h2-5,20H,6-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSNPHMGQSRIXNG-UHFFFAOYSA-N
XLogP-0.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)({[(9H-fluoren-9-yl)methoxy]carbonyl})amino]acetic acid
CID 2756167
Boc-n-(2-fmoc-aminoethyl)glycine
CID 10478413
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
CID 91631159
1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
CID 91631197
4-ethyl-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
CID 91631203
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
2-{[N-(S)-1-phenylethylcarbamoylcarbonylamino]methyl}-2-indanol
CID 100733250
N-[(3S)-5-hydroxy-3-phenylpentyl]-N'-(2-methoxyethyl)oxamide
CID 99872897
4-[2-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl-methylamino]acetyl]piperazin-2-one
CID 164631233

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide (CID 91631230) is N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is LSNPHMGQSRIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-7-6-16-13(18)14(19)17-10-15(20)8-11-4-2-3-5-12(11)9-15/h2-5,20H,6-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide?
N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 292.34 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 91631230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).