dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate

C23H27NO5 — CID 156787681

IUPACdipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate
SMILESCCCOC(=O)C(/N=C(\C)c1cccc(Oc2ccccc2)c1)C(=O)OCCC
InChIInChI=1S/C23H27NO5/c1-4-14-27-22(25)21(23(26)28-15-5-2)24-17(3)18-10-9-13-20(16-18)29-19-11-7-6-8-12-19/h6-13,16,21H,4-5,14-15H2,1-3H3/b24-17+
InChIKeyGVORLDREKDGCCZ-JJIBRWJFSA-N
MW397.47 g/mol
LogP4.56
Rot. Bonds10

About dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate

dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate (PubChem CID 156787681) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate.

Molecular Properties

Compound Namedipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate
PubChem CID156787681
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namedipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate
SMILESCCCOC(=O)C(/N=C(\C)c1cccc(Oc2ccccc2)c1)C(=O)OCCC
InChIInChI=1S/C23H27NO5/c1-4-14-27-22(25)21(23(26)28-15-5-2)24-17(3)18-10-9-13-20(16-18)29-19-11-7-6-8-12-19/h6-13,16,21H,4-5,14-15H2,1-3H3/b24-17+
InChIKeyGVORLDREKDGCCZ-JJIBRWJFSA-N
XLogP4.56
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
3-[(2Z)-2-(3-phenoxyphenyl)-2-propoxyiminoethoxy]benzoic acid
CID 87813061
dipropyl 2-(N-(4-phenoxyphenyl)anilino)propanedioate
CID 170230405
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
diethyl 2-[1-(3-phenoxyphenyl)ethylimino]propanedioate
CID 141472244
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
3-propoxybenzamide
CID 22311435
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
CID 21416898
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate?
The IUPAC name of dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate (CID 156787681) is dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate.
What is the SMILES notation for dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate?
The canonical SMILES for dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate is CCCOC(=O)C(/N=C(\C)c1cccc(Oc2ccccc2)c1)C(=O)OCCC.
What is the InChIKey of dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate?
The InChIKey is GVORLDREKDGCCZ-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H27NO5/c1-4-14-27-22(25)21(23(26)28-15-5-2)24-17(3)18-10-9-13-20(16-18)29-19-11-7-6-8-12-19/h6-13,16,21H,4-5,14-15H2,1-3H3/b24-17+.
What are the key properties of dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate?
dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate has a molecular weight of 397.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate is sourced from PubChem (CID 156787681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).