carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate

C19H24CrN2O6 — CID 134899208

IUPACcarbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1C(=O)N(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H24N2O3.3CO.Cr/c1-11(2)18(12(3)4)16(20)21-14-10-8-7-9-13(14)15(19)17(5)6;3*1-2;/h7-12H,1-6H3;;;;
InChIKeyMCLKTFXTMUWPAK-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.89
Rot. Bonds4

About carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate

carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 134899208) has the molecular formula C19H24CrN2O6 and a molecular weight of 428.41 g/mol. Its IUPAC name is carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namecarbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate
PubChem CID134899208
Molecular FormulaC19H24CrN2O6
Molecular Weight428.41 g/mol
Exact Mass428.10
IUPAC Namecarbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1C(=O)N(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C16H24N2O3.3CO.Cr/c1-11(2)18(12(3)4)16(20)21-14-10-8-7-9-13(14)15(19)17(5)6;3*1-2;/h7-12H,1-6H3;;;;
InChIKeyMCLKTFXTMUWPAK-UHFFFAOYSA-N
XLogP2.89
TPSA109.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 15423381
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 101050040
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
[2-(dimethylcarbamoyl)phenyl] cyanate
CID 163835020
[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid
CID 177254700
benzoyl 2-(dimethylcarbamoyloxy)benzenecarboperoxoate
CID 53244935
[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
CID 122517572
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate (CID 134899208) is carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)Oc1ccccc1C(=O)N(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is MCLKTFXTMUWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.3CO.Cr/c1-11(2)18(12(3)4)16(20)21-14-10-8-7-9-13(14)15(19)17(5)6;3*1-2;/h7-12H,1-6H3;;;;.
What are the key properties of carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate?
carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 428.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 134899208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).