1,1-diethyl-3-(tritylamino)urea

C24H27N3O — CID 23386790

IUPAC1,1-diethyl-3-(tritylamino)urea
SMILESCCN(CC)C(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-3-27(4-2)23(28)25-26-24(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,26H,3-4H2,1-2H3,(H,25,28)
InChIKeyPMXYHSWCILUSIL-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.53
Rot. Bonds7

About 1,1-diethyl-3-(tritylamino)urea

1,1-diethyl-3-(tritylamino)urea (PubChem CID 23386790) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1,1-diethyl-3-(tritylamino)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(tritylamino)urea
PubChem CID23386790
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1,1-diethyl-3-(tritylamino)urea
SMILESCCN(CC)C(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-3-27(4-2)23(28)25-26-24(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,26H,3-4H2,1-2H3,(H,25,28)
InChIKeyPMXYHSWCILUSIL-UHFFFAOYSA-N
XLogP4.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(tritylamino)urea?
The IUPAC name of 1,1-diethyl-3-(tritylamino)urea (CID 23386790) is 1,1-diethyl-3-(tritylamino)urea.
What is the SMILES notation for 1,1-diethyl-3-(tritylamino)urea?
The canonical SMILES for 1,1-diethyl-3-(tritylamino)urea is CCN(CC)C(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diethyl-3-(tritylamino)urea?
The InChIKey is PMXYHSWCILUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-27(4-2)23(28)25-26-24(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,26H,3-4H2,1-2H3,(H,25,28).
What are the key properties of 1,1-diethyl-3-(tritylamino)urea?
1,1-diethyl-3-(tritylamino)urea has a molecular weight of 373.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(tritylamino)urea is sourced from PubChem (CID 23386790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).