3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium

C19H20NO2Y- — CID 152815299

IUPAC3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium
SMILESCCCc1ccc(CNC(=O)c2cc(C)cc([C-]=O)c2)cc1.[Y]
InChIInChI=1S/C19H20NO2.Y/c1-3-4-15-5-7-16(8-6-15)12-20-19(22)18-10-14(2)9-17(11-18)13-21;/h5-11H,3-4,12H2,1-2H3,(H,20,22);/q-1;
InChIKeyLGDUHFWGUKMOHM-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.33
Rot. Bonds6

About 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium

3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium (PubChem CID 152815299) has the molecular formula C19H20NO2Y- and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium.

Molecular Properties

Compound Name3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium
PubChem CID152815299
Molecular FormulaC19H20NO2Y-
Molecular Weight383.28 g/mol
Exact Mass383.06
IUPAC Name3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium
SMILESCCCc1ccc(CNC(=O)c2cc(C)cc([C-]=O)c2)cc1.[Y]
InChIInChI=1S/C19H20NO2.Y/c1-3-4-15-5-7-16(8-6-15)12-20-19(22)18-10-14(2)9-17(11-18)13-21;/h5-11H,3-4,12H2,1-2H3,(H,20,22);/q-1;
InChIKeyLGDUHFWGUKMOHM-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
3-[(E)-N'-hydroxycarbamimidoyl]-N-[(4-propylphenyl)methyl]benzamide
CID 59959770
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium?
The IUPAC name of 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium (CID 152815299) is 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium.
What is the SMILES notation for 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium?
The canonical SMILES for 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium is CCCc1ccc(CNC(=O)c2cc(C)cc([C-]=O)c2)cc1.[Y].
What is the InChIKey of 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium?
The InChIKey is LGDUHFWGUKMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO2.Y/c1-3-4-15-5-7-16(8-6-15)12-20-19(22)18-10-14(2)9-17(11-18)13-21;/h5-11H,3-4,12H2,1-2H3,(H,20,22);/q-1;.
What are the key properties of 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium?
3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium has a molecular weight of 383.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxomethyl)-N-[(4-propylphenyl)methyl]benzamide;yttrium is sourced from PubChem (CID 152815299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).