(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate

C19H19NO3 — CID 770356

IUPAC(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
SMILESCCC(C=Cc1ccccc1)=NOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3/c1-3-17(12-9-15-7-5-4-6-8-15)20-23-19(21)16-10-13-18(22-2)14-11-16/h4-14H,3H2,1-2H3
InChIKeyZCUIQGSCWISNMX-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.33
Rot. Bonds6

About (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate

(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate (PubChem CID 770356) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate.

Molecular Properties

Compound Name(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
PubChem CID770356
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
SMILESCCC(C=Cc1ccccc1)=NOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3/c1-3-17(12-9-15-7-5-4-6-8-15)20-23-19(21)16-10-13-18(22-2)14-11-16/h4-14H,3H2,1-2H3
InChIKeyZCUIQGSCWISNMX-UHFFFAOYSA-N
XLogP4.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(E)-1-phenylpent-1-en-3-ylidene]amino] 4-methoxybenzoate
CID 6339517
[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
(1-oxobutan-2-ylideneamino) benzoate
CID 175932677
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19289952
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
1-(4-methoxyphenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone;hydrobromide
CID 126959385
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
CID 101383681

Frequently Asked Questions

What is the IUPAC name of (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate?
The IUPAC name of (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate (CID 770356) is (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate.
What is the SMILES notation for (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate?
The canonical SMILES for (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate is CCC(C=Cc1ccccc1)=NOC(=O)c1ccc(OC)cc1.
What is the InChIKey of (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate?
The InChIKey is ZCUIQGSCWISNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-17(12-9-15-7-5-4-6-8-15)20-23-19(21)16-10-13-18(22-2)14-11-16/h4-14H,3H2,1-2H3.
What are the key properties of (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate?
(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate has a molecular weight of 309.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate is sourced from PubChem (CID 770356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).