N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide

C16H23FN2O3 — CID 71990180

IUPACN-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O3/c1-21-12-15-11-19(8-9-22-15)16(20)18-7-3-5-13-4-2-6-14(17)10-13/h2,4,6,10,15H,3,5,7-9,11-12H2,1H3,(H,18,20)
InChIKeyBYYUQHHXIGQVMG-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.82
Rot. Bonds6

About N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide

N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 71990180) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID71990180
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCCCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H23FN2O3/c1-21-12-15-11-19(8-9-22-15)16(20)18-7-3-5-13-4-2-6-14(17)10-13/h2,4,6,10,15H,3,5,7-9,11-12H2,1H3,(H,18,20)
InChIKeyBYYUQHHXIGQVMG-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
1-(1,4-Dioxan-2-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2902662
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
1-Cyclohexyl-3-(2-(4-fluorophenyl)-2-morpholinoethyl)urea
CID 18589037
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 51124416
4-[2-(2-fluorophenyl)acetyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 53608188

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 71990180) is N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide is COCC1CN(C(=O)NCCCc2cccc(F)c2)CCO1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is BYYUQHHXIGQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-21-12-15-11-19(8-9-22-15)16(20)18-7-3-5-13-4-2-6-14(17)10-13/h2,4,6,10,15H,3,5,7-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71990180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).