N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate

C21H27NO5 — CID 69490317

IUPACN,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
SMILESCCN(CC)CC.COC(=O)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C15H12O5.C6H15N/c1-19-14(17)11-7-3-5-9-13(11)20-15(18)10-6-2-4-8-12(10)16;1-4-7(5-2)6-3/h2-9,16H,1H3;4-6H2,1-3H3
InChIKeyJJJJSPQBNPMAFI-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.75
Rot. Bonds6

About N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate

N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate (PubChem CID 69490317) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate.

Molecular Properties

Compound NameN,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
PubChem CID69490317
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
SMILESCCN(CC)CC.COC(=O)c1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C15H12O5.C6H15N/c1-19-14(17)11-7-3-5-9-13(11)20-15(18)10-6-2-4-8-12(10)16;1-4-7(5-2)6-3/h2-9,16H,1H3;4-6H2,1-3H3
InChIKeyJJJJSPQBNPMAFI-UHFFFAOYSA-N
XLogP3.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 168984736
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
methyl 2-butanoyloxybenzoate
CID 836876
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900
methyl 2-hydroxybenzoate;urea
CID 174888687
ethane;methyl 2-methoxybenzoate
CID 178037044
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
ethane;ethanol;methyl 2-phosphanyloxybenzoate;hydrate
CID 171064290

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate?
The IUPAC name of N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate (CID 69490317) is N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate.
What is the SMILES notation for N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate?
The canonical SMILES for N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate is CCN(CC)CC.COC(=O)c1ccccc1OC(=O)c1ccccc1O.
What is the InChIKey of N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate?
The InChIKey is JJJJSPQBNPMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5.C6H15N/c1-19-14(17)11-7-3-5-9-13(11)20-15(18)10-6-2-4-8-12(10)16;1-4-7(5-2)6-3/h2-9,16H,1H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate?
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate has a molecular weight of 373.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate is sourced from PubChem (CID 69490317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).