[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate

C18H25NO6 — CID 139995995

IUPAC[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate
SMILESCC1OCC(=O)C1(C)NC(=O)C(CC(C)(C)C)OC(=O)c1ccoc1
InChIInChI=1S/C18H25NO6/c1-11-18(5,14(20)10-24-11)19-15(21)13(8-17(2,3)4)25-16(22)12-6-7-23-9-12/h6-7,9,11,13H,8,10H2,1-5H3,(H,19,21)
InChIKeyKXSTUDMKHMHJFK-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.10
Rot. Bonds5

About [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate

[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate (PubChem CID 139995995) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate.

Molecular Properties

Compound Name[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate
PubChem CID139995995
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate
SMILESCC1OCC(=O)C1(C)NC(=O)C(CC(C)(C)C)OC(=O)c1ccoc1
InChIInChI=1S/C18H25NO6/c1-11-18(5,14(20)10-24-11)19-15(21)13(8-17(2,3)4)25-16(22)12-6-7-23-9-12/h6-7,9,11,13H,8,10H2,1-5H3,(H,19,21)
InChIKeyKXSTUDMKHMHJFK-UHFFFAOYSA-N
XLogP2.10
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 10155000
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate
CID 46649045
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 59791648
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 91034750
ethyl furan-3-carboxylate;furan-3-carboxylic acid
CID 158096971
(2-methyl-1,3-dioxolan-2-yl) furan-3-carboxylate
CID 175248298
(3-methylcyclobutyl) furan-3-carboxylate
CID 130683637
1-phenylpropan-2-yl furan-3-carboxylate
CID 60617101
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate?
The IUPAC name of [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate (CID 139995995) is [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate.
What is the SMILES notation for [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate?
The canonical SMILES for [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate is CC1OCC(=O)C1(C)NC(=O)C(CC(C)(C)C)OC(=O)c1ccoc1.
What is the InChIKey of [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate?
The InChIKey is KXSTUDMKHMHJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-11-18(5,14(20)10-24-11)19-15(21)13(8-17(2,3)4)25-16(22)12-6-7-23-9-12/h6-7,9,11,13H,8,10H2,1-5H3,(H,19,21).
What are the key properties of [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate?
[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl] furan-3-carboxylate is sourced from PubChem (CID 139995995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).