trimethyl-[(4-methylphenyl)carbamoylamino]azanium

C11H18N3O+ — CID 134109961

IUPACtrimethyl-[(4-methylphenyl)carbamoylamino]azanium
SMILESCc1ccc(NC(=O)N[N+](C)(C)C)cc1
InChIInChI=1S/C11H17N3O/c1-9-5-7-10(8-6-9)12-11(15)13-14(2,3)4/h5-8H,1-4H3,(H-,12,13,15)/p+1
InChIKeyXJNFRDHZEOJDDY-UHFFFAOYSA-O
MW208.28 g/mol
LogP1.74
Rot. Bonds2

About trimethyl-[(4-methylphenyl)carbamoylamino]azanium

trimethyl-[(4-methylphenyl)carbamoylamino]azanium (PubChem CID 134109961) has the molecular formula C11H18N3O+ and a molecular weight of 208.28 g/mol. Its IUPAC name is trimethyl-[(4-methylphenyl)carbamoylamino]azanium.

Molecular Properties

Compound Nametrimethyl-[(4-methylphenyl)carbamoylamino]azanium
PubChem CID134109961
Molecular FormulaC11H18N3O+
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Nametrimethyl-[(4-methylphenyl)carbamoylamino]azanium
SMILESCc1ccc(NC(=O)N[N+](C)(C)C)cc1
InChIInChI=1S/C11H17N3O/c1-9-5-7-10(8-6-9)12-11(15)13-14(2,3)4/h5-8H,1-4H3,(H-,12,13,15)/p+1
InChIKeyXJNFRDHZEOJDDY-UHFFFAOYSA-O
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
trimethyl-[4-[[4-(trimethylazaniumyl)phenyl]carbamoylamino]phenyl]azanium
CID 3084454
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
CID 145128031

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-methylphenyl)carbamoylamino]azanium?
The IUPAC name of trimethyl-[(4-methylphenyl)carbamoylamino]azanium (CID 134109961) is trimethyl-[(4-methylphenyl)carbamoylamino]azanium.
What is the SMILES notation for trimethyl-[(4-methylphenyl)carbamoylamino]azanium?
The canonical SMILES for trimethyl-[(4-methylphenyl)carbamoylamino]azanium is Cc1ccc(NC(=O)N[N+](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(4-methylphenyl)carbamoylamino]azanium?
The InChIKey is XJNFRDHZEOJDDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3O/c1-9-5-7-10(8-6-9)12-11(15)13-14(2,3)4/h5-8H,1-4H3,(H-,12,13,15)/p+1.
What are the key properties of trimethyl-[(4-methylphenyl)carbamoylamino]azanium?
trimethyl-[(4-methylphenyl)carbamoylamino]azanium has a molecular weight of 208.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-methylphenyl)carbamoylamino]azanium is sourced from PubChem (CID 134109961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).