tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate

C15H21FN2O3 — CID 71089085

IUPACtert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-9-8-17-13(19)10-11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOWDKXLPCVZLCAK-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate (PubChem CID 71089085) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
PubChem CID71089085
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-9-8-17-13(19)10-11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOWDKXLPCVZLCAK-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-[[2-(4-bromophenyl)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919137
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
tert-butyl N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111233545
tert-butyl N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111233544
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
CID 176515908
tert-butyl N-[2-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111232661
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
CID 14884400
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate (CID 71089085) is tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate?
The InChIKey is OWDKXLPCVZLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-9-8-17-13(19)10-11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate has a molecular weight of 296.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 71089085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).