1-methyl-3-tritylurea

C21H20N2O — CID 167052887

IUPAC1-methyl-3-tritylurea
SMILESCNC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-22-20(24)23-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H2,22,23,24)
InChIKeyZXUOYXUHGAIXEW-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.91
Rot. Bonds4

About 1-methyl-3-tritylurea

1-methyl-3-tritylurea (PubChem CID 167052887) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-methyl-3-tritylurea.

Molecular Properties

Compound Name1-methyl-3-tritylurea
PubChem CID167052887
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-methyl-3-tritylurea
SMILESCNC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-22-20(24)23-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H2,22,23,24)
InChIKeyZXUOYXUHGAIXEW-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-tritylpropanamide
CID 165388069
2-bromo-2-methyl-N-tritylpropanamide
CID 11475304
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-(1-anilino-2-methylpropan-2-yl)-3-methylurea
CID 142040986
1-naphthalen-1-yl-3-tritylurea
CID 4029941
bis(1,3-dimethylurea);toluene
CID 137356075
N-tritylpentanamide
CID 71163215
2-methyl-2-(tritylamino)propanoic acid
CID 71215938
2-methoxy-3,3-dimethyl-N-tritylbutanamide
CID 15309425
2-phenylpropan-2-ylcarbamic acid
CID 23445609
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
CID 129101422
2-chloro-2-fluoro-N-methyl-2-phenylacetamide
CID 131086216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-tritylurea?
The IUPAC name of 1-methyl-3-tritylurea (CID 167052887) is 1-methyl-3-tritylurea.
What is the SMILES notation for 1-methyl-3-tritylurea?
The canonical SMILES for 1-methyl-3-tritylurea is CNC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-3-tritylurea?
The InChIKey is ZXUOYXUHGAIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-22-20(24)23-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H2,22,23,24).
What are the key properties of 1-methyl-3-tritylurea?
1-methyl-3-tritylurea has a molecular weight of 316.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-tritylurea is sourced from PubChem (CID 167052887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).