tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate

C18H29ClN2O2 — CID 107252617

IUPACtert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O2/c1-13(2)18(6,12-20-16(22)23-17(3,4)5)21-11-14-7-9-15(19)10-8-14/h7-10,13,21H,11-12H2,1-6H3,(H,20,22)
InChIKeyJJYRWHFFFBNCSF-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.37
Rot. Bonds6

About tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate

tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate (PubChem CID 107252617) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
PubChem CID107252617
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Nametert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O2/c1-13(2)18(6,12-20-16(22)23-17(3,4)5)21-11-14-7-9-15(19)10-8-14/h7-10,13,21H,11-12H2,1-6H3,(H,20,22)
InChIKeyJJYRWHFFFBNCSF-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]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-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
CID 53407073
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640
tert-butyl N-[2-[[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
CID 5022023
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108567412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate (CID 107252617) is tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate is CC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The InChIKey is JJYRWHFFFBNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-13(2)18(6,12-20-16(22)23-17(3,4)5)21-11-14-7-9-15(19)10-8-14/h7-10,13,21H,11-12H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate?
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate has a molecular weight of 340.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 107252617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).