2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide

C21H23N3O — CID 6906259

IUPAC2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
SMILESCN1/C(=C\C=N\NC(=O)Cc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-21(2)17-11-7-8-12-18(17)24(3)19(21)13-14-22-23-20(25)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,23,25)/b19-13-,22-14+
InChIKeyOMHHFDUCPCXYIC-JWZHWXDPSA-N
MW333.44 g/mol
LogP3.64
Rot. Bonds4

About 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide

2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide (PubChem CID 6906259) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
PubChem CID6906259
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
SMILESCN1/C(=C\C=N\NC(=O)Cc2ccccc2)C(C)(C)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-21(2)17-11-7-8-12-18(17)24(3)19(21)13-14-22-23-20(25)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,23,25)/b19-13-,22-14+
InChIKeyOMHHFDUCPCXYIC-JWZHWXDPSA-N
XLogP3.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide?
The IUPAC name of 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide (CID 6906259) is 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide?
The canonical SMILES for 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide is CN1/C(=C\C=N\NC(=O)Cc2ccccc2)C(C)(C)c2ccccc21.
What is the InChIKey of 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide?
The InChIKey is OMHHFDUCPCXYIC-JWZHWXDPSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2)17-11-7-8-12-18(17)24(3)19(21)13-14-22-23-20(25)15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,23,25)/b19-13-,22-14+.
What are the key properties of 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide?
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide is sourced from PubChem (CID 6906259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).