tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate

C16H25FN2O2 — CID 84730991

IUPACtert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
SMILESCC(N)(CCc1cccc(F)c1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-11-16(4,18)9-8-12-6-5-7-13(17)10-12/h5-7,10H,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyFNOXIIANMLQOTI-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.00
Rot. Bonds5

About tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate

tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate (PubChem CID 84730991) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
PubChem CID84730991
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nametert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
SMILESCC(N)(CCc1cccc(F)c1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-11-16(4,18)9-8-12-6-5-7-13(17)10-12/h5-7,10H,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyFNOXIIANMLQOTI-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-[3-(3-fluorophenyl)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108916262
tert-butyl N-[3-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918902
tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
tert-butyl N-[3-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111394726
tert-butyl N-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111396127
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
CID 84730610
tert-butyl N-[2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108916060
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
tert-butyl N-[2-[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111877636
tert-butyl N-[3-[[2-[3-(3-fluorophenyl)propanoylamino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921063
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate (CID 84730991) is tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate is CC(N)(CCc1cccc(F)c1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate?
The InChIKey is FNOXIIANMLQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-11-16(4,18)9-8-12-6-5-7-13(17)10-12/h5-7,10H,8-9,11,18H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate?
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 3.00, 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-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate is sourced from PubChem (CID 84730991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).