tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate

C15H25N3O3 — CID 83928424

IUPACtert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)C(O)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-12(8-9-16)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,19H,8-9,16-17H2,1-3H3,(H,18,20)
InChIKeyIFFVLBVZUGGVKN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.54
Rot. Bonds5

About tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate

tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate (PubChem CID 83928424) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
PubChem CID83928424
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)C(O)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-12(8-9-16)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,19H,8-9,16-17H2,1-3H3,(H,18,20)
InChIKeyIFFVLBVZUGGVKN-UHFFFAOYSA-N
XLogP1.54
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-amino-1-hydroxy-1-(4-methylsulfanylphenyl)butan-2-yl]carbamate
CID 83935952
tert-butyl N-(4-amino-1-hydroxy-1-thiophen-3-ylbutan-2-yl)carbamate
CID 83927675
tert-butyl N-[4-amino-1-hydroxy-1-(3-hydroxyphenyl)butan-2-yl]carbamate
CID 83930270
(2S,3R)-3-(4-aminophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 24720911
tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
CID 83928221
tert-butyl N-(1-hydroxy-1-phenylhex-5-yn-2-yl)carbamate
CID 71572812
tert-butyl N-(1-hydroxy-3-methylsulfonyl-1-phenylpropan-2-yl)carbamate
CID 67674138
tert-butyl N-[(1R)-1-(4-aminophenyl)-2,2-difluoroethyl]carbamate
CID 175666923
ethyl 3-(4-aminophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18614834
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate (CID 83928424) is tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CCN)C(O)c1ccc(N)cc1.
What is the InChIKey of tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is IFFVLBVZUGGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-12(8-9-16)13(19)10-4-6-11(17)7-5-10/h4-7,12-13,19H,8-9,16-17H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate?
tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 83928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).