tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate

C17H24Cl2N2O2 — CID 107243334

IUPACtert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-16(2,3)23-15(22)21-17(7-4-8-17)11-20-10-12-5-6-13(18)9-14(12)19/h5-6,9,20H,4,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyUFLNKYBEGJJTBQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.53
Rot. Bonds5

About tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243334) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
PubChem CID107243334
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Nametert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-16(2,3)23-15(22)21-17(7-4-8-17)11-20-10-12-5-6-13(18)9-14(12)19/h5-6,9,20H,4,7-8,10-11H2,1-3H3,(H,21,22)
InChIKeyUFLNKYBEGJJTBQ-UHFFFAOYSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]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-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243208
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate (CID 107243334) is tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNCc2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate?
The InChIKey is UFLNKYBEGJJTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-16(2,3)23-15(22)21-17(7-4-8-17)11-20-10-12-5-6-13(18)9-14(12)19/h5-6,9,20H,4,7-8,10-11H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate has a molecular weight of 359.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).