tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate

C22H27FN2O3 — CID 55700391

IUPACtert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H27FN2O3/c1-5-25(21(27)28-22(2,3)4)15-17-10-6-7-12-19(17)24-20(26)14-16-9-8-11-18(23)13-16/h6-13H,5,14-15H2,1-4H3,(H,24,26)
InChIKeyLDPVUZVDYMVMTE-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.76
Rot. Bonds6

About tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate (PubChem CID 55700391) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
PubChem CID55700391
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Nametert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H27FN2O3/c1-5-25(21(27)28-22(2,3)4)15-17-10-6-7-12-19(17)24-20(26)14-16-9-8-11-18(23)13-16/h6-13H,5,14-15H2,1-4H3,(H,24,26)
InChIKeyLDPVUZVDYMVMTE-UHFFFAOYSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
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tert-butyl N-ethyl-N-[[2-(3-thiophen-3-ylpropanoylamino)phenyl]methyl]carbamate
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tert-butyl N-[[2-[3-(4-cyanophenyl)propanoylamino]phenyl]methyl]-N-ethylcarbamate
CID 60557854
tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
CID 55973003
tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 60557886
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
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tert-butyl N-[[2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 55972746
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate (CID 55700391) is tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)Cc1cccc(F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate?
The InChIKey is LDPVUZVDYMVMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-5-25(21(27)28-22(2,3)4)15-17-10-6-7-12-19(17)24-20(26)14-16-9-8-11-18(23)13-16/h6-13H,5,14-15H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate has a molecular weight of 386.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 55700391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).