tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate

C16H24N2O5 — CID 122151959

IUPACtert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1C(=O)NCC1CCCOC1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-12-6-8-22-13(12)14(19)17-9-11-5-4-7-21-10-11/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMENLRLVKCYYUOL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate

tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate (PubChem CID 122151959) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate
PubChem CID122151959
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1C(=O)NCC1CCCOC1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-12-6-8-22-13(12)14(19)17-9-11-5-4-7-21-10-11/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMENLRLVKCYYUOL-UHFFFAOYSA-N
XLogP2.78
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[4-[(oxan-3-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256057
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302
2,2-dimethyl-3-(oxan-3-ylmethylamino)-3-oxopropanoic acid
CID 82821482
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate (CID 122151959) is tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccoc1C(=O)NCC1CCCOC1.
What is the InChIKey of tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate?
The InChIKey is MENLRLVKCYYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-12-6-8-22-13(12)14(19)17-9-11-5-4-7-21-10-11/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate?
tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate is sourced from PubChem (CID 122151959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).