tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate

C17H28N2O3 — CID 123841840

IUPACtert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate
SMILESCCCN(CCC(O)c1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-5-11-19(16(21)22-17(2,3)4)12-10-15(20)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12,18H2,1-4H3
InChIKeyFPUXFZSIXYKCSV-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.34
Rot. Bonds6

About tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate

tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate (PubChem CID 123841840) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate
PubChem CID123841840
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate
SMILESCCCN(CCC(O)c1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-5-11-19(16(21)22-17(2,3)4)12-10-15(20)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12,18H2,1-4H3
InChIKeyFPUXFZSIXYKCSV-UHFFFAOYSA-N
XLogP3.34
TPSA75.79 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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)-3-phenylpropyl]-N-propylcarbamate
CID 142992360
tert-butyl N-[3-(4-acetylphenyl)-3-hydroxypropyl]-N-methylcarbamate
CID 139836256
[3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetyl]oxyhexyl] 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetate;ethane
CID 164556609
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl 2-[2-(4-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 116686958
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol
CID 142830492
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate (CID 123841840) is tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate is CCCN(CCC(O)c1ccc(N)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate?
The InChIKey is FPUXFZSIXYKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-11-19(16(21)22-17(2,3)4)12-10-15(20)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12,18H2,1-4H3.
What are the key properties of tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate?
tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate is sourced from PubChem (CID 123841840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).