propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate

C24H23NO3 — CID 4504442

IUPACpropyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
SMILESCCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-16-27-24(26)21-10-12-22(13-11-21)25-17-19-8-14-23(15-9-19)28-18-20-6-4-3-5-7-20/h3-15,17H,2,16,18H2,1H3/b25-17+
InChIKeyQHPXWUQTMJLPHM-KOEQRZSOSA-N
MW373.45 g/mol
LogP5.58
Rot. Bonds8

About propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate

propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate (PubChem CID 4504442) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
PubChem CID4504442
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namepropyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
SMILESCCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-16-27-24(26)21-10-12-22(13-11-21)25-17-19-8-14-23(15-9-19)28-18-20-6-4-3-5-7-20/h3-15,17H,2,16,18H2,1H3/b25-17+
InChIKeyQHPXWUQTMJLPHM-KOEQRZSOSA-N
XLogP5.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
3-[4-[(4-propoxyphenyl)methylideneamino]benzoyl]oxypropyl 4-[(4-propoxyphenyl)methylideneamino]benzoate
CID 102594777
[4-(phenyliminomethyl)phenyl] 4-propoxybenzoate
CID 86006119
propyl 4-[(4-bromophenyl)methylideneamino]benzoate
CID 2243695
propyl 4-[(4-formylphenoxy)methyl]benzoate
CID 23411167
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
octyl 4-(benzylideneamino)benzoate
CID 21231557
pentyl 4-[(4-phenylphenyl)methylideneamino]benzoate
CID 71325634
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
2-(2-ethoxyethoxy)ethyl 4-[(4-octoxyphenyl)iminomethyl]benzoate
CID 101349511
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate?
The IUPAC name of propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate (CID 4504442) is propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate is CCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate?
The InChIKey is QHPXWUQTMJLPHM-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-16-27-24(26)21-10-12-22(13-11-21)25-17-19-8-14-23(15-9-19)28-18-20-6-4-3-5-7-20/h3-15,17H,2,16,18H2,1H3/b25-17+.
What are the key properties of propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate?
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate has a molecular weight of 373.45 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 4504442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).