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

C20H22N2O3 — CID 100733250

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC1(O)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-3-2-4-8-15)22-19(24)18(23)21-13-20(25)11-16-9-5-6-10-17(16)12-20/h2-10,14,25H,11-13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyMCYKGXXWBQJLQC-AWEZNQCLSA-N
MW338.41 g/mol
LogP1.51
Rot. Bonds4

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

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 100733250) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID100733250
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC1(O)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-3-2-4-8-15)22-19(24)18(23)21-13-20(25)11-16-9-5-6-10-17(16)12-20/h2-10,14,25H,11-13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyMCYKGXXWBQJLQC-AWEZNQCLSA-N
XLogP1.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11495934
2-[(1-hydroxycyclohexyl)methylamino]-1-[1-(2-hydroxypropan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 59396250
N1-(4-fluorobenzyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782200
N1-(3-fluoro-4-methylphenyl)-N2-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631236
N1-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(4-(trifluoromethyl)phenyl)oxalamide
CID 91631241
9((Dietamino)acetylamino) fluorene
CID 3055372
2-(Dipropylamino)-N-9H-fluoren-9-ylacetamide
CID 23276324
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
N~1~,N~2~-Bis[(1R)-2-hydroxy-1-phenylethyl]ethanediamide
CID 69006103
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'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 100733250) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCC1(O)Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is MCYKGXXWBQJLQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-7-3-2-4-8-15)22-19(24)18(23)21-13-20(25)11-16-9-5-6-10-17(16)12-20/h2-10,14,25H,11-13H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 338.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 100733250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).