N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide

C16H22N2O5 — CID 67075324

IUPACN-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1C(=O)COC1C
InChIInChI=1S/C16H22N2O5/c1-3-4-5-12(17-15(20)11-6-7-22-8-11)16(21)18-14-10(2)23-9-13(14)19/h6-8,10,12,14H,3-5,9H2,1-2H3,(H,17,20)(H,18,21)/t10?,12-,14+/m0/s1
InChIKeyGHUWRJXARIMTIP-BNPZDMCGSA-N
MW322.36 g/mol
LogP1.04
Rot. Bonds7

About N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide (PubChem CID 67075324) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
PubChem CID67075324
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1C(=O)COC1C
InChIInChI=1S/C16H22N2O5/c1-3-4-5-12(17-15(20)11-6-7-22-8-11)16(21)18-14-10(2)23-9-13(14)19/h6-8,10,12,14H,3-5,9H2,1-2H3,(H,17,20)(H,18,21)/t10?,12-,14+/m0/s1
InChIKeyGHUWRJXARIMTIP-BNPZDMCGSA-N
XLogP1.04
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide (CID 67075324) is N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide is CCCC[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1C(=O)COC1C.
What is the InChIKey of N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide?
The InChIKey is GHUWRJXARIMTIP-BNPZDMCGSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-4-5-12(17-15(20)11-6-7-22-8-11)16(21)18-14-10(2)23-9-13(14)19/h6-8,10,12,14H,3-5,9H2,1-2H3,(H,17,20)(H,18,21)/t10?,12-,14+/m0/s1.
What are the key properties of N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 67075324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).