tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate

C18H30N2O3 — CID 83928221

IUPACtert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
SMILESCc1cc(C)c(C(O)C(CCN)NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C18H30N2O3/c1-11-9-12(2)15(13(3)10-11)16(21)14(7-8-19)20-17(22)23-18(4,5)6/h9-10,14,16,21H,7-8,19H2,1-6H3,(H,20,22)
InChIKeyQEIVPMXPHDCNKN-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate

tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate (PubChem CID 83928221) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
PubChem CID83928221
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
SMILESCc1cc(C)c(C(O)C(CCN)NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C18H30N2O3/c1-11-9-12(2)15(13(3)10-11)16(21)14(7-8-19)20-17(22)23-18(4,5)6/h9-10,14,16,21H,7-8,19H2,1-6H3,(H,20,22)
InChIKeyQEIVPMXPHDCNKN-UHFFFAOYSA-N
XLogP2.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
CID 83928424
tert-butyl N-[4-amino-1-hydroxy-1-(3-hydroxyphenyl)butan-2-yl]carbamate
CID 83930270
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
tert-butyl N-[4-amino-1-hydroxy-1-(4-methylsulfanylphenyl)butan-2-yl]carbamate
CID 83935952
2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928218
tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884674
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,6-trimethylphenoxy)propanoate
CID 58592000
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,6-trimethylphenyl)butanoic acid
CID 137332837
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[3-amino-4-(2,4-dimethylphenyl)-4-hydroxybutyl]carbamate
CID 83928007
tert-butyl N-[(6S)-6,7-diamino-2-methylheptan-3-yl]carbamate
CID 130381371

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate (CID 83928221) is tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate is Cc1cc(C)c(C(O)C(CCN)NC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate?
The InChIKey is QEIVPMXPHDCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-11-9-12(2)15(13(3)10-11)16(21)14(7-8-19)20-17(22)23-18(4,5)6/h9-10,14,16,21H,7-8,19H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate?
tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate is sourced from PubChem (CID 83928221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).