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

C17H28N2O4 — CID 107239711

IUPACtert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC(C)C(C)OC)c1
InChIInChI=1S/C17H28N2O4/c1-11(12(2)21-6)18-15-10-13(22-7)8-9-14(15)19-16(20)23-17(3,4)5/h8-12,18H,1-7H3,(H,19,20)
InChIKeyGETGDJPYTHVINJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.88
Rot. Bonds6

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

tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate (PubChem CID 107239711) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
PubChem CID107239711
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC(C)C(C)OC)c1
InChIInChI=1S/C17H28N2O4/c1-11(12(2)21-6)18-15-10-13(22-7)8-9-14(15)19-16(20)23-17(3,4)5/h8-12,18H,1-7H3,(H,19,20)
InChIKeyGETGDJPYTHVINJ-UHFFFAOYSA-N
XLogP3.88
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
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tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
CID 69097038
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
CID 107239688
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
CID 60556997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate (CID 107239711) is tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(NC(C)C(C)OC)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate?
The InChIKey is GETGDJPYTHVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-11(12(2)21-6)18-15-10-13(22-7)8-9-14(15)19-16(20)23-17(3,4)5/h8-12,18H,1-7H3,(H,19,20).
What are the key properties of tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate?
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate is sourced from PubChem (CID 107239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).