tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate

C17H27ClN2O3 — CID 103740278

IUPACtert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1cccc(Cl)c1CNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27ClN2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-10-12-13(18)8-7-9-14(12)22-6/h7-9,19H,10-11H2,1-6H3,(H,20,21)
InChIKeyCNESXZMZABDCIT-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 103740278) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID103740278
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1cccc(Cl)c1CNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27ClN2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-10-12-13(18)8-7-9-14(12)22-6/h7-9,19H,10-11H2,1-6H3,(H,20,21)
InChIKeyCNESXZMZABDCIT-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-chloro-6-methoxyphenyl)methylamino]carbamate
CID 107236678
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103761977
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115676191
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
tert-butyl N-[1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 107248714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate (CID 103740278) is tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate is COc1cccc(Cl)c1CNCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is CNESXZMZABDCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-10-12-13(18)8-7-9-14(12)22-6/h7-9,19H,10-11H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 342.87 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103740278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).