2-methyl-N-tritylprop-2-enamide

C23H21NO — CID 12014368

IUPAC2-methyl-N-tritylprop-2-enamide
SMILESC=C(C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-18(2)22(25)24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1H2,2H3,(H,24,25)
InChIKeyUTYRFBWBJRYRSO-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.67
Rot. Bonds5

About 2-methyl-N-tritylprop-2-enamide

2-methyl-N-tritylprop-2-enamide (PubChem CID 12014368) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-N-tritylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-tritylprop-2-enamide
PubChem CID12014368
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-methyl-N-tritylprop-2-enamide
SMILESC=C(C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-18(2)22(25)24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1H2,2H3,(H,24,25)
InChIKeyUTYRFBWBJRYRSO-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-tritylprop-2-enamide?
The IUPAC name of 2-methyl-N-tritylprop-2-enamide (CID 12014368) is 2-methyl-N-tritylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-tritylprop-2-enamide?
The canonical SMILES for 2-methyl-N-tritylprop-2-enamide is C=C(C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-tritylprop-2-enamide?
The InChIKey is UTYRFBWBJRYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-18(2)22(25)24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1H2,2H3,(H,24,25).
What are the key properties of 2-methyl-N-tritylprop-2-enamide?
2-methyl-N-tritylprop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-tritylprop-2-enamide is sourced from PubChem (CID 12014368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).