tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate

C17H28N2O3 — CID 107239683

IUPACtert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NCCC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-12(2)9-10-18-15-11-13(21-6)7-8-14(15)19-16(20)22-17(3,4)5/h7-8,11-12,18H,9-10H2,1-6H3,(H,19,20)
InChIKeyAJODGMPJRSDYLW-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate

tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate (PubChem CID 107239683) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
PubChem CID107239683
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NCCC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-12(2)9-10-18-15-11-13(21-6)7-8-14(15)19-16(20)22-17(3,4)5/h7-8,11-12,18H,9-10H2,1-6H3,(H,19,20)
InChIKeyAJODGMPJRSDYLW-UHFFFAOYSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
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tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
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tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
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tert-butyl N-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate (CID 107239683) is tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(NCCC(C)C)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate?
The InChIKey is AJODGMPJRSDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)9-10-18-15-11-13(21-6)7-8-14(15)19-16(20)22-17(3,4)5/h7-8,11-12,18H,9-10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate?
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate is sourced from PubChem (CID 107239683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).