ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium

C73H107N4O2Y- — CID 158962733

IUPACethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium
SMILESCC.CC.CC.CC.CC.CC.CC(C)(N)c1ccccc1.CC(C)(N)c1ccccc1.CC1=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc2C1.[H]/[C-]=C1\C(C)=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y]
InChIInChI=1S/C22H22NO.C21H23NO.2C9H13N.6C2H6.Y/c1-15-16(2)20(19-13-9-8-12-18(15)19)14-21(24)23-22(3,4)17-10-6-5-7-11-17;1-15-13-16-9-7-8-12-18(16)19(15)14-20(23)22-21(2,3)17-10-5-4-6-11-17;2*1-9(2,10)8-6-4-3-5-7-8;6*1-2;/h1,5-13H,14H2,2-4H3,(H,23,24);4-12H,13-14H2,1-3H3,(H,22,23);2*3-7H,10H2,1-2H3;6*1-2H3;/q-1;;;;;;;;;;
InChIKeyGJWKMCWCNBWTPT-UHFFFAOYSA-N
MW1161.59 g/mol
LogP19.10
Rot. Bonds10

About ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium

ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium (PubChem CID 158962733) has the molecular formula C73H107N4O2Y- and a molecular weight of 1161.59 g/mol. Its IUPAC name is ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium.

Molecular Properties

Compound Nameethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium
PubChem CID158962733
Molecular FormulaC73H107N4O2Y-
Molecular Weight1161.59 g/mol
Exact Mass1160.75
IUPAC Nameethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium
SMILESCC.CC.CC.CC.CC.CC.CC(C)(N)c1ccccc1.CC(C)(N)c1ccccc1.CC1=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc2C1.[H]/[C-]=C1\C(C)=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y]
InChIInChI=1S/C22H22NO.C21H23NO.2C9H13N.6C2H6.Y/c1-15-16(2)20(19-13-9-8-12-18(15)19)14-21(24)23-22(3,4)17-10-6-5-7-11-17;1-15-13-16-9-7-8-12-18(16)19(15)14-20(23)22-21(2,3)17-10-5-4-6-11-17;2*1-9(2,10)8-6-4-3-5-7-8;6*1-2;/h1,5-13H,14H2,2-4H3,(H,23,24);4-12H,13-14H2,1-3H3,(H,22,23);2*3-7H,10H2,1-2H3;6*1-2H3;/q-1;;;;;;;;;;
InChIKeyGJWKMCWCNBWTPT-UHFFFAOYSA-N
XLogP19.10
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.59
LogP ≤ 519.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium with MolForge

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Related Compounds

2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium
CID 59902849
ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide
CID 54094924
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
fluoro 2-(2-methyl-3H-inden-1-yl)acetate
CID 174855642
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 14230778
2-(3-chlorophenyl)-N-(2-naphthalen-2-ylpropan-2-yl)acetamide
CID 15590855
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium?
The IUPAC name of ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium (CID 158962733) is ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium.
What is the SMILES notation for ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium?
The canonical SMILES for ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium is CC.CC.CC.CC.CC.CC.CC(C)(N)c1ccccc1.CC(C)(N)c1ccccc1.CC1=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc2C1.[H]/[C-]=C1\C(C)=C(CC(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y].
What is the InChIKey of ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium?
The InChIKey is GJWKMCWCNBWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO.C21H23NO.2C9H13N.6C2H6.Y/c1-15-16(2)20(19-13-9-8-12-18(15)19)14-21(24)23-22(3,4)17-10-6-5-7-11-17;1-15-13-16-9-7-8-12-18(16)19(15)14-20(23)22-21(2,3)17-10-5-4-6-11-17;2*1-9(2,10)8-6-4-3-5-7-8;6*1-2;/h1,5-13H,14H2,2-4H3,(H,23,24);4-12H,13-14H2,1-3H3,(H,22,23);2*3-7H,10H2,1-2H3;6*1-2H3;/q-1;;;;;;;;;;.
What are the key properties of ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium?
ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium has a molecular weight of 1161.59 g/mol, XLogP of 19.10, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium is sourced from PubChem (CID 158962733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).