tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate

C22H30N2O4 — CID 11523892

IUPACtert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCCc1cccc(CC)c1NC(=O)C(Cc1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O4/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)18(14-17-12-9-13-27-17)23-21(26)28-22(3,4)5/h8-13,18H,6-7,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeySCTAYBHCBIHKDP-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.48
Rot. Bonds7

About tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 11523892) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
PubChem CID11523892
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Nametert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCCc1cccc(CC)c1NC(=O)C(Cc1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O4/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)18(14-17-12-9-13-27-17)23-21(26)28-22(3,4)5/h8-13,18H,6-7,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeySCTAYBHCBIHKDP-UHFFFAOYSA-N
XLogP4.48
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate (CID 11523892) is tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate is CCc1cccc(CC)c1NC(=O)C(Cc1ccco1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is SCTAYBHCBIHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-6-15-10-8-11-16(7-2)19(15)24-20(25)18(14-17-12-9-13-27-17)23-21(26)28-22(3,4)5/h8-13,18H,6-7,14H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 386.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11523892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).