carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide

C18H23CrNO4 — CID 135077934

IUPACcarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1c(C)cccc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H23NO.3CO.Cr/c1-7-16(14(17)15(4,5)6)13-11(2)9-8-10-12(13)3;3*1-2;/h8-10H,7H2,1-6H3;;;;
InChIKeyFERWGCYLZOCEHR-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.59
Rot. Bonds2

About carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide

carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide (PubChem CID 135077934) has the molecular formula C18H23CrNO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Namecarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
PubChem CID135077934
Molecular FormulaC18H23CrNO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Namecarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)C(C)(C)C)c1c(C)cccc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H23NO.3CO.Cr/c1-7-16(14(17)15(4,5)6)13-11(2)9-8-10-12(13)3;3*1-2;/h8-10H,7H2,1-6H3;;;;
InChIKeyFERWGCYLZOCEHR-UHFFFAOYSA-N
XLogP3.59
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.59
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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Related Compounds

carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 11233560
carbon monoxide;chromium;N,2,2-trimethyl-N-[2-methyl-6-(2-phenylethyl)phenyl]propanamide
CID 11178295
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline
CID 134226172
ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
CID 134283843
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
CID 82321106
N-(2,6-dimethylphenyl)-2-hydroxy-N-methylacetamide
CID 70578533
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
3-[N-(2,2-dimethylpropanoyl)-2-methylanilino]-2-methylpropanoic acid
CID 82321121
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide (CID 135077934) is carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide is CCN(C(=O)C(C)(C)C)c1c(C)cccc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is FERWGCYLZOCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.3CO.Cr/c1-7-16(14(17)15(4,5)6)13-11(2)9-8-10-12(13)3;3*1-2;/h8-10H,7H2,1-6H3;;;;.
What are the key properties of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide?
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 369.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 135077934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).