tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate

C22H26N2O5 — CID 135017945

IUPACtert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1-c1ccccc1C1OCCO1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)29-21(26)23-14-19(25)24-18-11-7-6-9-16(18)15-8-4-5-10-17(15)20-27-12-13-28-20/h4-11,20H,12-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFWBRZLKBFBGNRJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate (PubChem CID 135017945) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate
PubChem CID135017945
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nametert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1-c1ccccc1C1OCCO1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)29-21(26)23-14-19(25)24-18-11-7-6-9-16(18)15-8-4-5-10-17(15)20-27-12-13-28-20/h4-11,20H,12-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFWBRZLKBFBGNRJ-UHFFFAOYSA-N
XLogP3.86
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
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tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
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tert-butyl N-[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate (CID 135017945) is tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1-c1ccccc1C1OCCO1.
What is the InChIKey of tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate?
The InChIKey is FWBRZLKBFBGNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-22(2,3)29-21(26)23-14-19(25)24-18-11-7-6-9-16(18)15-8-4-5-10-17(15)20-27-12-13-28-20/h4-11,20H,12-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(1,3-dioxolan-2-yl)phenyl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 135017945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).