tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane

C19H32F2N2O3 — CID 142310394

IUPACtert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane
SMILESCC.CC(CCNC(=O)OC(C)(C)C)CC(N)=O.Fc1cccc(F)c1
InChIInChI=1S/C11H22N2O3.C6H4F2.C2H6/c1-8(7-9(12)14)5-6-13-10(15)16-11(2,3)4;7-5-2-1-3-6(8)4-5;1-2/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,15);1-4H;1-2H3
InChIKeyCMXCZJACXLNPGI-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.40
Rot. Bonds5

About tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane

tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane (PubChem CID 142310394) has the molecular formula C19H32F2N2O3 and a molecular weight of 374.47 g/mol. Its IUPAC name is tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane.

Molecular Properties

Compound Nametert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane
PubChem CID142310394
Molecular FormulaC19H32F2N2O3
Molecular Weight374.47 g/mol
Exact Mass374.24
IUPAC Nametert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane
SMILESCC.CC(CCNC(=O)OC(C)(C)C)CC(N)=O.Fc1cccc(F)c1
InChIInChI=1S/C11H22N2O3.C6H4F2.C2H6/c1-8(7-9(12)14)5-6-13-10(15)16-11(2,3)4;7-5-2-1-3-6(8)4-5;1-2/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,15);1-4H;1-2H3
InChIKeyCMXCZJACXLNPGI-UHFFFAOYSA-N
XLogP4.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane 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-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
CID 141111564
tert-butyl N-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111396127
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111877636
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
CID 84730610
tert-butyl N-[2-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111682008
tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 164548562
tert-butyl N-[3-amino-4-(2,5-difluorophenyl)-4-hydroxybutyl]carbamate
CID 83936067
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane?
The IUPAC name of tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane (CID 142310394) is tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane.
What is the SMILES notation for tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane?
The canonical SMILES for tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane is CC.CC(CCNC(=O)OC(C)(C)C)CC(N)=O.Fc1cccc(F)c1.
What is the InChIKey of tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane?
The InChIKey is CMXCZJACXLNPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.C6H4F2.C2H6/c1-8(7-9(12)14)5-6-13-10(15)16-11(2,3)4;7-5-2-1-3-6(8)4-5;1-2/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,15);1-4H;1-2H3.
What are the key properties of tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane?
tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane has a molecular weight of 374.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane is sourced from PubChem (CID 142310394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).