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

C17H28N2O3 — CID 103776035

IUPACtert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
SMILESCCC(C)CNc1ccc(NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-7-12(2)11-18-13-8-9-14(15(10-13)21-6)19-16(20)22-17(3,4)5/h8-10,12,18H,7,11H2,1-6H3,(H,19,20)
InChIKeyPEVZJZXVENZXTK-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.50
Rot. Bonds6

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

tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate (PubChem CID 103776035) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
PubChem CID103776035
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
SMILESCCC(C)CNc1ccc(NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H28N2O3/c1-7-12(2)11-18-13-8-9-14(15(10-13)21-6)19-16(20)22-17(3,4)5/h8-10,12,18H,7,11H2,1-6H3,(H,19,20)
InChIKeyPEVZJZXVENZXTK-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

tert-butyl N-[4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate
CID 117477647
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CID 107241079
tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
CID 113354897
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
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tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
2-amino-2-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117477516
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
CID 117451587
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570
tert-butyl N-[2-methoxy-4-(2-oxopentyl)phenyl]carbamate
CID 70242201
tert-butyl N-[5-(hexylamino)-2-methoxyphenyl]carbamate
CID 107239632
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
CID 107239656

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate (CID 103776035) is tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate is CCC(C)CNc1ccc(NC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate?
The InChIKey is PEVZJZXVENZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-7-12(2)11-18-13-8-9-14(15(10-13)21-6)19-16(20)22-17(3,4)5/h8-10,12,18H,7,11H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate?
tert-butyl N-[2-methoxy-4-(2-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-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate is sourced from PubChem (CID 103776035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).