tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate

C15H24N2O2 — CID 14925139

IUPACtert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-13(9-10-16)11-12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyPNIGNRWZWINHFQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate

tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate (PubChem CID 14925139) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
PubChem CID14925139
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-13(9-10-16)11-12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18)
InChIKeyPNIGNRWZWINHFQ-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate (CID 14925139) is tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCN)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate?
The InChIKey is PNIGNRWZWINHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-13(9-10-16)11-12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 14925139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).