methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate

C15H21FN2O4 — CID 78890634

IUPACmethyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C15H21FN2O4/c1-21-13-10-11(16)7-8-12(13)18-15(20)17-9-5-3-4-6-14(19)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,20)
InChIKeyJFBMVFGXZGOCAC-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.69
Rot. Bonds8

About methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate

methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate (PubChem CID 78890634) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
PubChem CID78890634
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Namemethyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C15H21FN2O4/c1-21-13-10-11(16)7-8-12(13)18-15(20)17-9-5-3-4-6-14(19)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,20)
InChIKeyJFBMVFGXZGOCAC-UHFFFAOYSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
methyl 7-[(2,4-dimethylphenyl)carbamoylamino]heptanoate
CID 75526025
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
methyl 6-[(2-chloro-4-iodophenyl)carbamoylamino]hexanoate
CID 78890631
methyl 6-[(3-fluoro-4-methylphenyl)carbamoylamino]hexanoate
CID 86914045
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
methyl 6-(2,5-difluoroanilino)hexanoate
CID 82538918
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate?
The IUPAC name of methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate (CID 78890634) is methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate.
What is the SMILES notation for methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate?
The canonical SMILES for methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate is COC(=O)CCCCCNC(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate?
The InChIKey is JFBMVFGXZGOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-21-13-10-11(16)7-8-12(13)18-15(20)17-9-5-3-4-6-14(19)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,20).
What are the key properties of methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate?
methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate has a molecular weight of 312.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate is sourced from PubChem (CID 78890634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).