tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate

C20H29NO5 — CID 68507541

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29NO5/c1-19(2,3)25-17(23)21(18(24)26-20(4,5)6)14-10-13-16(22)15-11-8-7-9-12-15/h7-9,11-12H,10,13-14H2,1-6H3
InChIKeyKHMUMZQMSRQFNN-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.82
Rot. Bonds5

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate (PubChem CID 68507541) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate
PubChem CID68507541
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29NO5/c1-19(2,3)25-17(23)21(18(24)26-20(4,5)6)14-10-13-16(22)15-11-8-7-9-12-15/h7-9,11-12H,10,13-14H2,1-6H3
InChIKeyKHMUMZQMSRQFNN-UHFFFAOYSA-N
XLogP4.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate (CID 68507541) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate is CC(C)(C)OC(=O)N(CCCC(=O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate?
The InChIKey is KHMUMZQMSRQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-19(2,3)25-17(23)21(18(24)26-20(4,5)6)14-10-13-16(22)15-11-8-7-9-12-15/h7-9,11-12H,10,13-14H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate has a molecular weight of 363.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxo-4-phenylbutyl)carbamate is sourced from PubChem (CID 68507541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).