[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate

C17H19NO5 — CID 8970024

IUPAC[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1cccc(OCCNC(=O)COC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H19NO5/c1-12-4-3-5-14(10-12)22-9-7-18-16(19)11-23-17(20)15-6-8-21-13(15)2/h3-6,8,10H,7,9,11H2,1-2H3,(H,18,19)
InChIKeyJXOAKTQNEDDXFF-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.25
Rot. Bonds7

About [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 8970024) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID8970024
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1cccc(OCCNC(=O)COC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H19NO5/c1-12-4-3-5-14(10-12)22-9-7-18-16(19)11-23-17(20)15-6-8-21-13(15)2/h3-6,8,10H,7,9,11H2,1-2H3,(H,18,19)
InChIKeyJXOAKTQNEDDXFF-UHFFFAOYSA-N
XLogP2.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 9487982
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 40751132
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-[2-(3-methoxyphenoxy)ethyl]-2-methylfuran-3-carboxamide
CID 46400217
4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
CID 17422361
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 43046900
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 39799937
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290573
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 8970024) is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1cccc(OCCNC(=O)COC(=O)c2ccoc2C)c1.
What is the InChIKey of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is JXOAKTQNEDDXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-12-4-3-5-14(10-12)22-9-7-18-16(19)11-23-17(20)15-6-8-21-13(15)2/h3-6,8,10H,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8970024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).