(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide

C21H34N2O3 — CID 88986056

IUPAC(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)N[C@]1(CC)C[C@H]1C=C
InChIInChI=1S/C21H34N2O3/c1-5-8-9-10-11-23(4)20(26)18-13-16(24)12-17(18)19(25)22-21(7-3)14-15(21)6-2/h5-6,15-18,24H,1-2,7-14H2,3-4H3,(H,22,25)/t15-,16-,17-,18-,21-/m1/s1
InChIKeyQGKMKQWRZYKQBE-PDOZGGDVSA-N
MW362.51 g/mol
LogP2.66
Rot. Bonds10

About (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide

(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide (PubChem CID 88986056) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
PubChem CID88986056
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)N[C@]1(CC)C[C@H]1C=C
InChIInChI=1S/C21H34N2O3/c1-5-8-9-10-11-23(4)20(26)18-13-16(24)12-17(18)19(25)22-21(7-3)14-15(21)6-2/h5-6,15-18,24H,1-2,7-14H2,3-4H3,(H,22,25)/t15-,16-,17-,18-,21-/m1/s1
InChIKeyQGKMKQWRZYKQBE-PDOZGGDVSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide?
The IUPAC name of (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide (CID 88986056) is (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide.
What is the SMILES notation for (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide?
The canonical SMILES for (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide is C=CCCCCN(C)C(=O)[C@@H]1C[C@H](O)C[C@H]1C(=O)N[C@]1(CC)C[C@H]1C=C.
What is the InChIKey of (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide?
The InChIKey is QGKMKQWRZYKQBE-PDOZGGDVSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-5-8-9-10-11-23(4)20(26)18-13-16(24)12-17(18)19(25)22-21(7-3)14-15(21)6-2/h5-6,15-18,24H,1-2,7-14H2,3-4H3,(H,22,25)/t15-,16-,17-,18-,21-/m1/s1.
What are the key properties of (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide?
(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide has a molecular weight of 362.51 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 88986056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).