tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate

C17H26Cl2N2O2 — CID 107248714

IUPACtert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNCc1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26Cl2N2O2/c1-11(2)15(21-16(22)23-17(3,4)5)10-20-9-12-13(18)7-6-8-14(12)19/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,22)
InChIKeySVDCGXPDLGOBTK-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate (PubChem CID 107248714) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
PubChem CID107248714
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Nametert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CNCc1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26Cl2N2O2/c1-11(2)15(21-16(22)23-17(3,4)5)10-20-9-12-13(18)7-6-8-14(12)19/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,22)
InChIKeySVDCGXPDLGOBTK-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 107248915
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
methyl 2-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]methyl]benzoate
CID 113352366
tert-butyl N-[3-methyl-1-[(1-methylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
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tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 105007225
tert-butyl N-[(2S)-1-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 95770355
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
3-chloro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxobutyl]benzoic acid
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tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[1-(2-bromo-6-chlorophenyl)ethyl]carbamate
CID 155887557
tert-butyl N-[(1S)-1-(2-bromo-6-chlorophenyl)ethyl]carbamate
CID 162342857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate (CID 107248714) is tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate is CC(C)C(CNCc1c(Cl)cccc1Cl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate?
The InChIKey is SVDCGXPDLGOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2/c1-11(2)15(21-16(22)23-17(3,4)5)10-20-9-12-13(18)7-6-8-14(12)19/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate has a molecular weight of 361.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 107248714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).