2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide

C17H18N2O2 — CID 5200532

IUPAC2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13(2)18-19-17(20)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyYJGMKJRUWYSWEM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.39
Rot. Bonds5

About 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide

2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide (PubChem CID 5200532) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
PubChem CID5200532
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13(2)18-19-17(20)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyYJGMKJRUWYSWEM-UHFFFAOYSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.39
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

N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
[2-[(propan-2-ylideneamino)carbamoyl]phenyl] benzoate
CID 134106610
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 8714658

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide (CID 5200532) is 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide?
The InChIKey is YJGMKJRUWYSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(2)18-19-17(20)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide?
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 5200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).