[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)

C12H17N2ORu — CID 142973882

IUPAC[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
SMILESCc1ccc(C(C)(C)CNC([NH-])=O)cc1.[Ru+]
InChIInChI=1S/C12H18N2O.Ru/c1-9-4-6-10(7-5-9)12(2,3)8-14-11(13)15;/h4-7H,8H2,1-3H3,(H3,13,14,15);/q;+1/p-1
InChIKeyGWYXFVCCYMZEDC-UHFFFAOYSA-M
MW306.35 g/mol
LogP3.03
Rot. Bonds3

About [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)

[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+) (PubChem CID 142973882) has the molecular formula C12H17N2ORu and a molecular weight of 306.35 g/mol. Its IUPAC name is [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+).

Molecular Properties

Compound Name[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
PubChem CID142973882
Molecular FormulaC12H17N2ORu
Molecular Weight306.35 g/mol
Exact Mass307.04
IUPAC Name[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
SMILESCc1ccc(C(C)(C)CNC([NH-])=O)cc1.[Ru+]
InChIInChI=1S/C12H18N2O.Ru/c1-9-4-6-10(7-5-9)12(2,3)8-14-11(13)15;/h4-7H,8H2,1-3H3,(H3,13,14,15);/q;+1/p-1
InChIKeyGWYXFVCCYMZEDC-UHFFFAOYSA-M
XLogP3.03
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
CID 56825527
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
N,2,2,4-tetramethyl-4-(4-methylphenyl)pentanamide
CID 174300532
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115218819
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)?
The IUPAC name of [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+) (CID 142973882) is [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+).
What is the SMILES notation for [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)?
The canonical SMILES for [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+) is Cc1ccc(C(C)(C)CNC([NH-])=O)cc1.[Ru+].
What is the InChIKey of [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)?
The InChIKey is GWYXFVCCYMZEDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18N2O.Ru/c1-9-4-6-10(7-5-9)12(2,3)8-14-11(13)15;/h4-7H,8H2,1-3H3,(H3,13,14,15);/q;+1/p-1.
What are the key properties of [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)?
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+) has a molecular weight of 306.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+) is sourced from PubChem (CID 142973882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).