tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate

C22H26N2O5 — CID 24980406

IUPACtert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCC(=O)N(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)23-28-16-20(26)24(14-17-10-6-4-7-11-17)15-19(25)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,23,27)
InChIKeyYZWGVZDHQQGJTB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.35
Rot. Bonds8

About tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate

tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate (PubChem CID 24980406) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate
PubChem CID24980406
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nametert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCC(=O)N(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)23-28-16-20(26)24(14-17-10-6-4-7-11-17)15-19(25)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,23,27)
InChIKeyYZWGVZDHQQGJTB-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate (CID 24980406) is tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate is CC(C)(C)OC(=O)NOCC(=O)N(CC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate?
The InChIKey is YZWGVZDHQQGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)23-28-16-20(26)24(14-17-10-6-4-7-11-17)15-19(25)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate?
tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate has a molecular weight of 398.46 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[benzyl(phenacyl)amino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 24980406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).