methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate

C15H21FN2O3 — CID 60591384

IUPACmethyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14(19)8-4-5-10-17-15(20)18-11-9-12-6-2-3-7-13(12)16/h2-3,6-7H,4-5,8-11H2,1H3,(H2,17,18,20)
InChIKeyQQXYRNDAPADZSW-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.01
Rot. Bonds8

About methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate

methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate (PubChem CID 60591384) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
PubChem CID60591384
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namemethyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14(19)8-4-5-10-17-15(20)18-11-9-12-6-2-3-7-13(12)16/h2-3,6-7H,4-5,8-11H2,1H3,(H2,17,18,20)
InChIKeyQQXYRNDAPADZSW-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
methyl 6-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]hexanoate;hydroiodide
CID 111361106
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
methyl 6-[3-(2-hydroxyphenyl)propanoylamino]hexanoate
CID 43423411
methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate
CID 8658166

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate?
The IUPAC name of methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate (CID 60591384) is methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate.
What is the SMILES notation for methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate?
The canonical SMILES for methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate is COC(=O)CCCCNC(=O)NCCc1ccccc1F.
What is the InChIKey of methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate?
The InChIKey is QQXYRNDAPADZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-21-14(19)8-4-5-10-17-15(20)18-11-9-12-6-2-3-7-13(12)16/h2-3,6-7H,4-5,8-11H2,1H3,(H2,17,18,20).
What are the key properties of methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate?
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate has a molecular weight of 296.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate is sourced from PubChem (CID 60591384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).