tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate

C20H26N4O5 — CID 55560299

IUPACtert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H26N4O5/c1-13(22-19(27)29-20(2,3)4)17(25)23-14-7-9-15(10-8-14)24-18(26)21-12-16-6-5-11-28-16/h5-11,13H,12H2,1-4H3,(H,22,27)(H,23,25)(H2,21,24,26)
InChIKeyMOOPVBNTMCRBJV-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.45
Rot. Bonds6

About tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate (PubChem CID 55560299) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
PubChem CID55560299
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nametert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H26N4O5/c1-13(22-19(27)29-20(2,3)4)17(25)23-14-7-9-15(10-8-14)24-18(26)21-12-16-6-5-11-28-16/h5-11,13H,12H2,1-4H3,(H,22,27)(H,23,25)(H2,21,24,26)
InChIKeyMOOPVBNTMCRBJV-UHFFFAOYSA-N
XLogP3.45
TPSA121.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134050577
tert-butyl N-[(2R)-1-[4-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]anilino]-1-oxopropan-2-yl]carbamate
CID 163359763
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
tert-butyl N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9081148
tert-butyl N-[1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 71505185
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 113235988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate (CID 55560299) is tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate?
The InChIKey is MOOPVBNTMCRBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-13(22-19(27)29-20(2,3)4)17(25)23-14-7-9-15(10-8-14)24-18(26)21-12-16-6-5-11-28-16/h5-11,13H,12H2,1-4H3,(H,22,27)(H,23,25)(H2,21,24,26).
What are the key properties of tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate has a molecular weight of 402.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).