N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide

C30H25N3O — CID 23476926

IUPACN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25N3O/c34-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)32-31-20-26-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(26)28/h1-20,22,29H,21H2,(H,32,34)/b31-20+
InChIKeyBONVXXMWQAWYCU-AJBULDERSA-N
MW443.55 g/mol
LogP5.97
Rot. Bonds7

About N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide

N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 23476926) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID23476926
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC NameN-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25N3O/c34-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)32-31-20-26-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(26)28/h1-20,22,29H,21H2,(H,32,34)/b31-20+
InChIKeyBONVXXMWQAWYCU-AJBULDERSA-N
XLogP5.97
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.97
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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Related Compounds

2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126395143
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
(2S)-2-cyano-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126206363
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
(2S)-2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126210883
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 6045592
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide (CID 23476926) is N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is BONVXXMWQAWYCU-AJBULDERSA-N. The full InChI is InChI=1S/C30H25N3O/c34-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)32-31-20-26-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(26)28/h1-20,22,29H,21H2,(H,32,34)/b31-20+.
What are the key properties of N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide?
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 443.55 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 23476926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).