[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate

C15H19NO3 — CID 55319893

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-16(10-12(2)3)14(17)11-19-15(18)13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3
InChIKeyMDXUUSSBDNCEQC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds6

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate (PubChem CID 55319893) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
PubChem CID55319893
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
SMILESC=C(C)CN(CC)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-16(10-12(2)3)14(17)11-19-15(18)13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3
InChIKeyMDXUUSSBDNCEQC-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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] 4-tert-butylbenzoate
CID 55318805
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 55314069
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 55314147
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188289
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55316186
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 55473542
[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] 2,4-dihydroxybenzoate
CID 18077413
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55475125
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate (CID 55319893) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate is C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate?
The InChIKey is MDXUUSSBDNCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-16(10-12(2)3)14(17)11-19-15(18)13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate has a molecular weight of 261.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 55319893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).