phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate

C20H24FNO3 — CID 134382691

IUPACphenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate
SMILESCOC(C)CCN(C(=O)Oc1ccccc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-15(24-3)13-14-22(16(2)17-9-11-18(21)12-10-17)20(23)25-19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3
InChIKeyZCCKWDKFUWUVOP-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.81
Rot. Bonds7

About phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate

phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate (PubChem CID 134382691) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate
PubChem CID134382691
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Namephenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate
SMILESCOC(C)CCN(C(=O)Oc1ccccc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-15(24-3)13-14-22(16(2)17-9-11-18(21)12-10-17)20(23)25-19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3
InChIKeyZCCKWDKFUWUVOP-UHFFFAOYSA-N
XLogP4.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 68731226
phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
CID 43137069
(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
CID 59112070
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597
CID 89134987
CID 89134987
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
(4-fluorophenyl) phenyl carbonate
CID 555788

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate?
The IUPAC name of phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate (CID 134382691) is phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate.
What is the SMILES notation for phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate?
The canonical SMILES for phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate is COC(C)CCN(C(=O)Oc1ccccc1)C(C)c1ccc(F)cc1.
What is the InChIKey of phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate?
The InChIKey is ZCCKWDKFUWUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-15(24-3)13-14-22(16(2)17-9-11-18(21)12-10-17)20(23)25-19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3.
What are the key properties of phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate?
phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate has a molecular weight of 345.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-fluorophenyl)ethyl]-N-(3-methoxybutyl)carbamate is sourced from PubChem (CID 134382691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).