[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate

C13H18FNO3 — CID 153458907

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)O[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-10(11-4-6-12(14)7-5-11)18-13(16)15-8-3-9-17-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyQWSYBCILDAMPPP-JTQLQIEISA-N
MW255.29 g/mol
LogP2.65
Rot. Bonds6

About [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate

[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate (PubChem CID 153458907) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
PubChem CID153458907
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)O[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-10(11-4-6-12(14)7-5-11)18-13(16)15-8-3-9-17-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyQWSYBCILDAMPPP-JTQLQIEISA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.65
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

2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate (CID 153458907) is [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate is COCCCNC(=O)O[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate?
The InChIKey is QWSYBCILDAMPPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10(11-4-6-12(14)7-5-11)18-13(16)15-8-3-9-17-2/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate?
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate has a molecular weight of 255.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 153458907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).