(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide

C20H28N2O2 — CID 97326490

IUPAC(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(N[C@@H]1CC=CCC1)[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CC=CCC1
InChIInChI=1S/C20H28N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-3,5,7-8,15-18H,4,6,9-14H2,(H,21,23)(H,22,24)/t15-,16+,17+,18-
InChIKeyQJBUVKKCLRNDTM-FZDBZEDMSA-N
MW328.46 g/mol
LogP3.02
Rot. Bonds4

About (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide

(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide (PubChem CID 97326490) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
PubChem CID97326490
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(N[C@@H]1CC=CCC1)[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CC=CCC1
InChIInChI=1S/C20H28N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-3,5,7-8,15-18H,4,6,9-14H2,(H,21,23)(H,22,24)/t15-,16+,17+,18-
InChIKeyQJBUVKKCLRNDTM-FZDBZEDMSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide (CID 97326490) is (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide is O=C(N[C@@H]1CC=CCC1)[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CC=CCC1.
What is the InChIKey of (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is QJBUVKKCLRNDTM-FZDBZEDMSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-3,5,7-8,15-18H,4,6,9-14H2,(H,21,23)(H,22,24)/t15-,16+,17+,18-.
What are the key properties of (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide?
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 97326490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).