carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten

C18H27ClN2OW-2 — CID 155692307

IUPACcarbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten
SMILES[CH2-]CCN(C)C1(C(=O)Nc2c(C)cc(Cl)cc2C)CCC1.[CH3-].[W]
InChIInChI=1S/C17H24ClN2O.CH3.W/c1-5-9-20(4)17(7-6-8-17)16(21)19-15-12(2)10-14(18)11-13(15)3;;/h10-11H,1,5-9H2,2-4H3,(H,19,21);1H3;/q2*-1;
InChIKeyRGQIFZLARDPOAT-UHFFFAOYSA-N
MW506.72 g/mol
LogP4.42
Rot. Bonds5

About carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten

carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten (PubChem CID 155692307) has the molecular formula C18H27ClN2OW-2 and a molecular weight of 506.72 g/mol. Its IUPAC name is carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten.

Molecular Properties

Compound Namecarbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten
PubChem CID155692307
Molecular FormulaC18H27ClN2OW-2
Molecular Weight506.72 g/mol
Exact Mass506.13
IUPAC Namecarbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten
SMILES[CH2-]CCN(C)C1(C(=O)Nc2c(C)cc(Cl)cc2C)CCC1.[CH3-].[W]
InChIInChI=1S/C17H24ClN2O.CH3.W/c1-5-9-20(4)17(7-6-8-17)16(21)19-15-12(2)10-14(18)11-13(15)3;;/h10-11H,1,5-9H2,2-4H3,(H,19,21);1H3;/q2*-1;
InChIKeyRGQIFZLARDPOAT-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.72
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
N-(4-chloro-2,6-dimethylphenyl)-1-(1,2-dimethylazaphosphinan-2-ium-2-yl)cyclobutane-1-carboxamide
CID 156737724
[1-[(4-chloro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-ethyl-methyl-pentylazanium;toluene
CID 155693199
[1-[(4-chloro-2-ethoxycarbonyl-6-methylphenyl)carbamoyl]cyclopropyl]-diethyl-methylazanium
CID 155693014
ethyl 5-chloro-2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-3-methylbenzoate
CID 158469422
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 80587408
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095203
1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71131532
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
methyl 5-chloro-3-methyl-2-[[1-(1-methylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]benzoate
CID 155693085

Frequently Asked Questions

What is the IUPAC name of carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten?
The IUPAC name of carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten (CID 155692307) is carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten.
What is the SMILES notation for carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten?
The canonical SMILES for carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten is [CH2-]CCN(C)C1(C(=O)Nc2c(C)cc(Cl)cc2C)CCC1.[CH3-].[W].
What is the InChIKey of carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten?
The InChIKey is RGQIFZLARDPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN2O.CH3.W/c1-5-9-20(4)17(7-6-8-17)16(21)19-15-12(2)10-14(18)11-13(15)3;;/h10-11H,1,5-9H2,2-4H3,(H,19,21);1H3;/q2*-1;.
What are the key properties of carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten?
carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten has a molecular weight of 506.72 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-(4-chloro-2,6-dimethylphenyl)-1-[methyl(propyl)amino]cyclobutane-1-carboxamide;tungsten is sourced from PubChem (CID 155692307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).