N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide

C29H26N2O2 — CID 54785183

IUPACN-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
SMILESC/C(=N\NC(=O)c1ccccc1OCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-22(28(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30-31-29(32)26-19-11-12-20-27(26)33-21-23-13-5-2-6-14-23/h2-20,28H,21H2,1H3,(H,31,32)/b30-22+
InChIKeyDTCDEAGIVNGESJ-JBASAIQMSA-N
MW434.54 g/mol
LogP6.20
Rot. Bonds8

About N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide

N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide (PubChem CID 54785183) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
PubChem CID54785183
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
SMILESC/C(=N\NC(=O)c1ccccc1OCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-22(28(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30-31-29(32)26-19-11-12-20-27(26)33-21-23-13-5-2-6-14-23/h2-20,28H,21H2,1H3,(H,31,32)/b30-22+
InChIKeyDTCDEAGIVNGESJ-JBASAIQMSA-N
XLogP6.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.20
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-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
CID 139818881
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 8714658
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide (CID 54785183) is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide is C/C(=N\NC(=O)c1ccccc1OCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is DTCDEAGIVNGESJ-JBASAIQMSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-22(28(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30-31-29(32)26-19-11-12-20-27(26)33-21-23-13-5-2-6-14-23/h2-20,28H,21H2,1H3,(H,31,32)/b30-22+.
What are the key properties of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 54785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).