carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)

C19H34N2O3V — CID 178047272

IUPACcarbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
SMILESCC.CC.Cc1ccc(COC(=O)N(C)CCN(C)[C-]=O)cc1.[CH3-].[V+2]
InChIInChI=1S/C14H19N2O3.2C2H6.CH3.V/c1-12-4-6-13(7-5-12)10-19-14(18)16(3)9-8-15(2)11-17;2*1-2;;/h4-7H,8-10H2,1-3H3;2*1-2H3;1H3;/q-1;;;-1;+2
InChIKeyYSADLOFVVOKURB-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.06
Rot. Bonds6

About carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)

carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+) (PubChem CID 178047272) has the molecular formula C19H34N2O3V and a molecular weight of 389.44 g/mol. Its IUPAC name is carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+).

Molecular Properties

Compound Namecarbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
PubChem CID178047272
Molecular FormulaC19H34N2O3V
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC Namecarbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
SMILESCC.CC.Cc1ccc(COC(=O)N(C)CCN(C)[C-]=O)cc1.[CH3-].[V+2]
InChIInChI=1S/C14H19N2O3.2C2H6.CH3.V/c1-12-4-6-13(7-5-12)10-19-14(18)16(3)9-8-15(2)11-17;2*1-2;;/h4-7H,8-10H2,1-3H3;2*1-2H3;1H3;/q-1;;;-1;+2
InChIKeyYSADLOFVVOKURB-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
CID 178047297
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 167648938
[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
iodo N-[2-[[4-(iodoamino)phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 171843588
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
iodo (4-methylphenyl)methyl carbonate
CID 170151158

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)?
The IUPAC name of carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+) (CID 178047272) is carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+).
What is the SMILES notation for carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)?
The canonical SMILES for carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+) is CC.CC.Cc1ccc(COC(=O)N(C)CCN(C)[C-]=O)cc1.[CH3-].[V+2].
What is the InChIKey of carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)?
The InChIKey is YSADLOFVVOKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O3.2C2H6.CH3.V/c1-12-4-6-13(7-5-12)10-19-14(18)16(3)9-8-15(2)11-17;2*1-2;;/h4-7H,8-10H2,1-3H3;2*1-2H3;1H3;/q-1;;;-1;+2.
What are the key properties of carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)?
carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+) has a molecular weight of 389.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+) is sourced from PubChem (CID 178047272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).