trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide

C18H22N2O4 — CID 94798892

IUPACtrans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCC[C@H](C(=O)NCc2ccco2)C1
InChIInChI=1S/C18H22N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h2-3,6-9,13-14H,1,4-5,10-12H2,(H,19,21)(H,20,22)/t13-,14-/m0/s1
InChIKeyPXIBTBLPUFZWMY-KBPBESRZSA-N
MW330.38 g/mol
LogP2.61
Rot. Bonds6

About trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide

trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide (PubChem CID 94798892) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
PubChem CID94798892
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametrans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCC[C@H](C(=O)NCc2ccco2)C1
InChIInChI=1S/C18H22N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h2-3,6-9,13-14H,1,4-5,10-12H2,(H,19,21)(H,20,22)/t13-,14-/m0/s1
InChIKeyPXIBTBLPUFZWMY-KBPBESRZSA-N
XLogP2.61
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide (CID 94798892) is trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide is O=C(NCc1ccco1)[C@H]1CCC[C@H](C(=O)NCc2ccco2)C1.
What is the InChIKey of trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is PXIBTBLPUFZWMY-KBPBESRZSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(19-11-15-6-2-8-23-15)13-4-1-5-14(10-13)18(22)20-12-16-7-3-9-24-16/h2-3,6-9,13-14H,1,4-5,10-12H2,(H,19,21)(H,20,22)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide?
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 94798892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).