tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate

C21H25NO3 — CID 5461478

IUPACtert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22(16-18-12-8-5-9-13-18)19(23)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyQYNXYNIETJPCLS-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.58
Rot. Bonds5

About tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate

tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate (PubChem CID 5461478) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate
PubChem CID5461478
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Nametert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22(16-18-12-8-5-9-13-18)19(23)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyQYNXYNIETJPCLS-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate (CID 5461478) is tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate?
The InChIKey is QYNXYNIETJPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22(16-18-12-8-5-9-13-18)19(23)15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate?
tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate has a molecular weight of 339.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(3-phenylpropanoyl)carbamate is sourced from PubChem (CID 5461478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).