(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate

C17H17NO4 — CID 87527873

IUPAC(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate
SMILESCCN(C)c1ccc(C(=O)Oc2ccc(OC=O)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-3-18(2)14-6-4-13(5-7-14)17(20)22-16-10-8-15(9-11-16)21-12-19/h4-12H,3H2,1-2H3
InChIKeyGWLBXXCQKNZRIB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.90
Rot. Bonds6

About (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate

(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate (PubChem CID 87527873) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate.

Molecular Properties

Compound Name(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate
PubChem CID87527873
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate
SMILESCCN(C)c1ccc(C(=O)Oc2ccc(OC=O)cc2)cc1
InChIInChI=1S/C17H17NO4/c1-3-18(2)14-6-4-13(5-7-14)17(20)22-16-10-8-15(9-11-16)21-12-19/h4-12H,3H2,1-2H3
InChIKeyGWLBXXCQKNZRIB-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
CID 86960880
(4-butoxyphenyl) 4-formyloxybenzoate
CID 101317505
phenyl 4-formyloxybenzoate
CID 118686744
[4-(diethylamino)phenyl] benzoate
CID 67071301
[4-(dimethylamino)phenyl] formate
CID 54158989
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
[4-[4-(dipropylamino)phenoxy]carbonylphenyl] 4-acetyloxybenzoate
CID 122542341
[4-[4-(4-formyloxybenzoyl)oxyphenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 58898426
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
[4-(ethylcarbamoyl)phenyl] formate
CID 165120828
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416

Frequently Asked Questions

What is the IUPAC name of (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate?
The IUPAC name of (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate (CID 87527873) is (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate.
What is the SMILES notation for (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate?
The canonical SMILES for (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate is CCN(C)c1ccc(C(=O)Oc2ccc(OC=O)cc2)cc1.
What is the InChIKey of (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate?
The InChIKey is GWLBXXCQKNZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-18(2)14-6-4-13(5-7-14)17(20)22-16-10-8-15(9-11-16)21-12-19/h4-12H,3H2,1-2H3.
What are the key properties of (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate?
(4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyloxyphenyl) 4-[ethyl(methyl)amino]benzoate is sourced from PubChem (CID 87527873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).