bis(2-methylpropylcarbamic acid);triphenylstibane

C28H37N2O4Sb — CID 10348307

IUPACbis(2-methylpropylcarbamic acid);triphenylstibane
SMILESCC(C)CNC(=O)O.CC(C)CNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3-6-5(7)8;/h3*1-5H;2*4,6H,3H2,1-2H3,(H,7,8);
InChIKeyCHTHPBWPSLDQFT-UHFFFAOYSA-N
MW587.37 g/mol
LogP4.02
Rot. Bonds7

About bis(2-methylpropylcarbamic acid);triphenylstibane

bis(2-methylpropylcarbamic acid);triphenylstibane (PubChem CID 10348307) has the molecular formula C28H37N2O4Sb and a molecular weight of 587.37 g/mol. Its IUPAC name is bis(2-methylpropylcarbamic acid);triphenylstibane.

Molecular Properties

Compound Namebis(2-methylpropylcarbamic acid);triphenylstibane
PubChem CID10348307
Molecular FormulaC28H37N2O4Sb
Molecular Weight587.37 g/mol
Exact Mass586.18
IUPAC Namebis(2-methylpropylcarbamic acid);triphenylstibane
SMILESCC(C)CNC(=O)O.CC(C)CNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3-6-5(7)8;/h3*1-5H;2*4,6H,3H2,1-2H3,(H,7,8);
InChIKeyCHTHPBWPSLDQFT-UHFFFAOYSA-N
XLogP4.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.37
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
propan-2-yl(propan-2-ylphosphanyl)phosphane;bis(triphenylstibane)
CID 177477519
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
CID 10345646
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
(2-amino-2-phenylethyl)carbamic acid
CID 66941802

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropylcarbamic acid);triphenylstibane?
The IUPAC name of bis(2-methylpropylcarbamic acid);triphenylstibane (CID 10348307) is bis(2-methylpropylcarbamic acid);triphenylstibane.
What is the SMILES notation for bis(2-methylpropylcarbamic acid);triphenylstibane?
The canonical SMILES for bis(2-methylpropylcarbamic acid);triphenylstibane is CC(C)CNC(=O)O.CC(C)CNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-methylpropylcarbamic acid);triphenylstibane?
The InChIKey is CHTHPBWPSLDQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3-6-5(7)8;/h3*1-5H;2*4,6H,3H2,1-2H3,(H,7,8);.
What are the key properties of bis(2-methylpropylcarbamic acid);triphenylstibane?
bis(2-methylpropylcarbamic acid);triphenylstibane has a molecular weight of 587.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropylcarbamic acid);triphenylstibane is sourced from PubChem (CID 10348307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).