N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium

C20H35N3O5Y — CID 169232247

IUPACN-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium
SMILESCCCNCC(=O)NC(C=O)Cc1ccc(O)cc1.COC.ON1CCCC1.[Y]
InChIInChI=1S/C14H20N2O3.C4H9NO.C2H6O.Y/c1-2-7-15-9-14(19)16-12(10-17)8-11-3-5-13(18)6-4-11;6-5-3-1-2-4-5;1-3-2;/h3-6,10,12,15,18H,2,7-9H2,1H3,(H,16,19);6H,1-4H2;1-2H3;
InChIKeyWDALJKMGDHUBDH-UHFFFAOYSA-N
MW486.42 g/mol
LogP1.35
Rot. Bonds8

About N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium

N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium (PubChem CID 169232247) has the molecular formula C20H35N3O5Y and a molecular weight of 486.42 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium
PubChem CID169232247
Molecular FormulaC20H35N3O5Y
Molecular Weight486.42 g/mol
Exact Mass486.16
IUPAC NameN-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium
SMILESCCCNCC(=O)NC(C=O)Cc1ccc(O)cc1.COC.ON1CCCC1.[Y]
InChIInChI=1S/C14H20N2O3.C4H9NO.C2H6O.Y/c1-2-7-15-9-14(19)16-12(10-17)8-11-3-5-13(18)6-4-11;6-5-3-1-2-4-5;1-3-2;/h3-6,10,12,15,18H,2,7-9H2,1H3,(H,16,19);6H,1-4H2;1-2H3;
InChIKeyWDALJKMGDHUBDH-UHFFFAOYSA-N
XLogP1.35
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]butanamide
CID 139404725
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]propanamide
CID 90694268
N-[(2S)-1-[[2-[[2-[[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(propylamino)pentanamide
CID 140900025
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 163042712
(2S)-3-(4-hydroxyphenyl)-2-[2-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]hydrazinyl]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 58307896
methyl 2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 4502358
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
CID 170261831
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
N-[1-[2-[[(2S)-1,4-dioxopentan-2-yl]amino]-2-oxoethyl]-2-oxoazepan-3-yl]-3-(4-hydroxyphenyl)propanamide
CID 59426708

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium?
The IUPAC name of N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium (CID 169232247) is N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium?
The canonical SMILES for N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium is CCCNCC(=O)NC(C=O)Cc1ccc(O)cc1.COC.ON1CCCC1.[Y].
What is the InChIKey of N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium?
The InChIKey is WDALJKMGDHUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C4H9NO.C2H6O.Y/c1-2-7-15-9-14(19)16-12(10-17)8-11-3-5-13(18)6-4-11;6-5-3-1-2-4-5;1-3-2;/h3-6,10,12,15,18H,2,7-9H2,1H3,(H,16,19);6H,1-4H2;1-2H3;.
What are the key properties of N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium?
N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium has a molecular weight of 486.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(propylamino)acetamide;1-hydroxypyrrolidine;methoxymethane;yttrium is sourced from PubChem (CID 169232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).