2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

C26H21N3O — CID 126395143

IUPAC2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N3O/c1-2-17-29-19-22(23-15-9-10-16-24(23)29)18-27-28-26(30)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h1,3-16,18-19,25H,17H2,(H,28,30)/b27-18-
InChIKeyFORUUPKMOSKVMW-IMRQLAEWSA-N
MW391.47 g/mol
LogP4.56
Rot. Bonds6

About 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (PubChem CID 126395143) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
PubChem CID126395143
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N3O/c1-2-17-29-19-22(23-15-9-10-16-24(23)29)18-27-28-26(30)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h1,3-16,18-19,25H,17H2,(H,28,30)/b27-18-
InChIKeyFORUUPKMOSKVMW-IMRQLAEWSA-N
XLogP4.56
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.56
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (CID 126395143) is 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is C#CCn1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The InChIKey is FORUUPKMOSKVMW-IMRQLAEWSA-N. The full InChI is InChI=1S/C26H21N3O/c1-2-17-29-19-22(23-15-9-10-16-24(23)29)18-27-28-26(30)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h1,3-16,18-19,25H,17H2,(H,28,30)/b27-18-.
What are the key properties of 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126395143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).