7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide

C24H35NO4 — CID 57012817

IUPAC7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
SMILESCOC(=CCCCc1ccccc1)[C@@H]1[C@@H](O)CCC1(O)CC=CCCCC(N)=O
InChIInChI=1S/C24H35NO4/c1-29-21(14-9-8-13-19-11-5-4-6-12-19)23-20(26)16-18-24(23,28)17-10-3-2-7-15-22(25)27/h3-6,10-12,14,20,23,26,28H,2,7-9,13,15-18H2,1H3,(H2,25,27)/t20-,23-,24?/m0/s1
InChIKeyWJHMXVSTFJISPO-AEPCKBASSA-N
MW401.55 g/mol
LogP3.64
Rot. Bonds12

About 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide

7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide (PubChem CID 57012817) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide.

Molecular Properties

Compound Name7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
PubChem CID57012817
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
SMILESCOC(=CCCCc1ccccc1)[C@@H]1[C@@H](O)CCC1(O)CC=CCCCC(N)=O
InChIInChI=1S/C24H35NO4/c1-29-21(14-9-8-13-19-11-5-4-6-12-19)23-20(26)16-18-24(23,28)17-10-3-2-7-15-22(25)27/h3-6,10-12,14,20,23,26,28H,2,7-9,13,15-18H2,1H3,(H2,25,27)/t20-,23-,24?/m0/s1
InChIKeyWJHMXVSTFJISPO-AEPCKBASSA-N
XLogP3.64
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-8-phenyloct-4-enoate
CID 167272629
(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
CID 67584393
methyl 8-phenyloct-5-enoate
CID 54063432
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
methyl (Z)-7-[(1R,2R,3R,5S)-3-amino-5-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 90434779
(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
CID 129189388
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
diethyl 2-[(E)-2-methyl-6-phenylhex-2-enyl]propanedioate
CID 15054081
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
2-methyl-5-(3-phenylpropoxy)pent-2-enamide
CID 66723362
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide?
The IUPAC name of 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide (CID 57012817) is 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide.
What is the SMILES notation for 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide?
The canonical SMILES for 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide is COC(=CCCCc1ccccc1)[C@@H]1[C@@H](O)CCC1(O)CC=CCCCC(N)=O.
What is the InChIKey of 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide?
The InChIKey is WJHMXVSTFJISPO-AEPCKBASSA-N. The full InChI is InChI=1S/C24H35NO4/c1-29-21(14-9-8-13-19-11-5-4-6-12-19)23-20(26)16-18-24(23,28)17-10-3-2-7-15-22(25)27/h3-6,10-12,14,20,23,26,28H,2,7-9,13,15-18H2,1H3,(H2,25,27)/t20-,23-,24?/m0/s1.
What are the key properties of 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide?
7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide has a molecular weight of 401.55 g/mol, XLogP of 3.64, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide is sourced from PubChem (CID 57012817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).