ethylamino 4-methoxybenzoate

C10H13NO3 — CID 87829629

IUPACethylamino 4-methoxybenzoate
SMILESCCNOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO3/c1-3-11-14-10(12)8-4-6-9(13-2)7-5-8/h4-7,11H,3H2,1-2H3
InChIKeyILUAQMGNRJYTRU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.38
Rot. Bonds4

About ethylamino 4-methoxybenzoate

ethylamino 4-methoxybenzoate (PubChem CID 87829629) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethylamino 4-methoxybenzoate.

Molecular Properties

Compound Nameethylamino 4-methoxybenzoate
PubChem CID87829629
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethylamino 4-methoxybenzoate
SMILESCCNOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO3/c1-3-11-14-10(12)8-4-6-9(13-2)7-5-8/h4-7,11H,3H2,1-2H3
InChIKeyILUAQMGNRJYTRU-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethylhydrazinyl) 4-methoxybenzoate
CID 10656048
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919

Frequently Asked Questions

What is the IUPAC name of ethylamino 4-methoxybenzoate?
The IUPAC name of ethylamino 4-methoxybenzoate (CID 87829629) is ethylamino 4-methoxybenzoate.
What is the SMILES notation for ethylamino 4-methoxybenzoate?
The canonical SMILES for ethylamino 4-methoxybenzoate is CCNOC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethylamino 4-methoxybenzoate?
The InChIKey is ILUAQMGNRJYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11-14-10(12)8-4-6-9(13-2)7-5-8/h4-7,11H,3H2,1-2H3.
What are the key properties of ethylamino 4-methoxybenzoate?
ethylamino 4-methoxybenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino 4-methoxybenzoate is sourced from PubChem (CID 87829629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).