(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide

C26H33NO3 — CID 70798797

IUPAC(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide
SMILESO=C(CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/[C@@H](O)CCc1ccccc1)NC1CC1
InChIInChI=1S/C26H33NO3/c28-23(17-12-20-8-4-3-5-9-20)18-13-21-14-19-25(29)24(21)10-6-1-2-7-11-26(30)27-22-15-16-22/h1,3-6,8-9,13-14,18,22-24,28H,2,7,10-12,15-17,19H2,(H,27,30)/b6-1-,18-13+/t23-,24+/m0/s1
InChIKeyURNLFSYWLUJLGT-MDYOJTCQSA-N
MW407.55 g/mol
LogP4.45
Rot. Bonds12

About (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide

(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide (PubChem CID 70798797) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide
PubChem CID70798797
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide
SMILESO=C(CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/[C@@H](O)CCc1ccccc1)NC1CC1
InChIInChI=1S/C26H33NO3/c28-23(17-12-20-8-4-3-5-9-20)18-13-21-14-19-25(29)24(21)10-6-1-2-7-11-26(30)27-22-15-16-22/h1,3-6,8-9,13-14,18,22-24,28H,2,7,10-12,15-17,19H2,(H,27,30)/b6-1-,18-13+/t23-,24+/m0/s1
InChIKeyURNLFSYWLUJLGT-MDYOJTCQSA-N
XLogP4.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.45
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 (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide with MolForge

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Related Compounds

N-cyclopropyl-7-[(1R)-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 146900873
N-cyclopropyl-7-[(1R,2S)-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enamide
CID 162300923
(Z)-7-[(1R)-2-(3-hydroxy-4-phenylbutyl)-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 70389922
7-[(1R)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-5-oxocyclopent-2-en-1-yl]-N-methylhept-5-enamide
CID 66693067
propan-2-yl 7-[(1R)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 66692243
(E)-7-[5-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 20527904
(Z)-7-[(1R,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 95065561
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
N-(cyclopropylmethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
CID 162300927
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
(Z)-7-[(1S,2S)-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 35020986
(Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 35020977

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide?
The IUPAC name of (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide (CID 70798797) is (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide is O=C(CCC/C=C\C[C@H]1C(=O)CC=C1/C=C/[C@@H](O)CCc1ccccc1)NC1CC1.
What is the InChIKey of (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide?
The InChIKey is URNLFSYWLUJLGT-MDYOJTCQSA-N. The full InChI is InChI=1S/C26H33NO3/c28-23(17-12-20-8-4-3-5-9-20)18-13-21-14-19-25(29)24(21)10-6-1-2-7-11-26(30)27-22-15-16-22/h1,3-6,8-9,13-14,18,22-24,28H,2,7,10-12,15-17,19H2,(H,27,30)/b6-1-,18-13+/t23-,24+/m0/s1.
What are the key properties of (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide?
(Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide has a molecular weight of 407.55 g/mol, XLogP of 4.45, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-7-[(1R)-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide is sourced from PubChem (CID 70798797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).