carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide

C24H27CrNO4 — CID 11178295

IUPACcarbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide
SMILESCc1cccc(CCc2ccccc2)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C21H27NO.3CO.Cr/c1-16-10-9-13-18(15-14-17-11-7-6-8-12-17)19(16)22(5)20(23)21(2,3)4;3*1-2;/h6-13H,14-15H2,1-5H3;;;;
InChIKeyVKAGKFJTTNITFP-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.67
Rot. Bonds4

About carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide

carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide (PubChem CID 11178295) has the molecular formula C24H27CrNO4 and a molecular weight of 445.48 g/mol. Its IUPAC name is carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide.

Molecular Properties

Compound Namecarbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide
PubChem CID11178295
Molecular FormulaC24H27CrNO4
Molecular Weight445.48 g/mol
Exact Mass445.13
IUPAC Namecarbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide
SMILESCc1cccc(CCc2ccccc2)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C21H27NO.3CO.Cr/c1-16-10-9-13-18(15-14-17-11-7-6-8-12-17)19(16)22(5)20(23)21(2,3)4;3*1-2;/h6-13H,14-15H2,1-5H3;;;;
InChIKeyVKAGKFJTTNITFP-UHFFFAOYSA-N
XLogP4.67
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide?
The IUPAC name of carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide (CID 11178295) is carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide.
What is the SMILES notation for carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide?
The canonical SMILES for carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide is Cc1cccc(CCc2ccccc2)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide?
The InChIKey is VKAGKFJTTNITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.3CO.Cr/c1-16-10-9-13-18(15-14-17-11-7-6-8-12-17)19(16)22(5)20(23)21(2,3)4;3*1-2;/h6-13H,14-15H2,1-5H3;;;;.
What are the key properties of carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide?
carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide has a molecular weight of 445.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide is sourced from PubChem (CID 11178295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).