[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate

C15H19NO5 — CID 18077413

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C15H19NO5/c1-4-16(8-10(2)3)14(19)9-21-15(20)12-6-5-11(17)7-13(12)18/h5-7,17-18H,2,4,8-9H2,1,3H3
InChIKeyMCWZQUPOSOZWMB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.68
Rot. Bonds6

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 18077413) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID18077413
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C15H19NO5/c1-4-16(8-10(2)3)14(19)9-21-15(20)12-6-5-11(17)7-13(12)18/h5-7,17-18H,2,4,8-9H2,1,3H3
InChIKeyMCWZQUPOSOZWMB-UHFFFAOYSA-N
XLogP1.68
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 55315118
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 35965277
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55316186
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473455
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 55318805
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55473548
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 55314069
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 55311618
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate (CID 18077413) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate is C=C(C)CN(CC)C(=O)COC(=O)c1ccc(O)cc1O.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is MCWZQUPOSOZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-16(8-10(2)3)14(19)9-21-15(20)12-6-5-11(17)7-13(12)18/h5-7,17-18H,2,4,8-9H2,1,3H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 18077413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).