tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate

C14H22N2O7 — CID 166386285

IUPACtert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)o1
InChIInChI=1S/C14H22N2O7/c1-13(2,3)23-12(21)15-10-5-4-9(22-10)11(20)16-14(6-17,7-18)8-19/h4-5,17-19H,6-8H2,1-3H3,(H,15,21)(H,16,20)
InChIKeyIUNWYJQXUKONJR-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.07
Rot. Bonds6

About tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate

tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate (PubChem CID 166386285) has the molecular formula C14H22N2O7 and a molecular weight of 330.34 g/mol. Its IUPAC name is tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate
PubChem CID166386285
Molecular FormulaC14H22N2O7
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC Nametert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)o1
InChIInChI=1S/C14H22N2O7/c1-13(2,3)23-12(21)15-10-5-4-9(22-10)11(20)16-14(6-17,7-18)8-19/h4-5,17-19H,6-8H2,1-3H3,(H,15,21)(H,16,20)
InChIKeyIUNWYJQXUKONJR-UHFFFAOYSA-N
XLogP0.07
TPSA141.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate with MolForge

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
CID 107845274
tert-butyl N-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]phenyl]carbamate
CID 107239514
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
methyl 1-methyl-4-[[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]furan-2-carbonyl]amino]pyrrole-2-carboxylate
CID 143802179
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-[4-(3-dimethylphosphoryl-2-oxopropyl)phenyl]carbamate
CID 90364732
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 82344173
1-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]-2-oxocyclopentane-1-carboxylic acid
CID 66886712
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate (CID 166386285) is tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)o1.
What is the InChIKey of tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate?
The InChIKey is IUNWYJQXUKONJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O7/c1-13(2,3)23-12(21)15-10-5-4-9(22-10)11(20)16-14(6-17,7-18)8-19/h4-5,17-19H,6-8H2,1-3H3,(H,15,21)(H,16,20).
What are the key properties of tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate?
tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate has a molecular weight of 330.34 g/mol, XLogP of 0.07, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]furan-2-yl]carbamate is sourced from PubChem (CID 166386285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).