4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol

C26H41NO3 — CID 91575983

IUPAC4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol
SMILESCC(C)OCCCCCCCC1C(N)CC(O)C1CCC(O)C#Cc1ccccc1
InChIInChI=1S/C26H41NO3/c1-20(2)30-18-10-5-3-4-9-13-23-24(26(29)19-25(23)27)17-16-22(28)15-14-21-11-7-6-8-12-21/h6-8,11-12,20,22-26,28-29H,3-5,9-10,13,16-19,27H2,1-2H3
InChIKeyDXPIYMQGIBCDQP-UHFFFAOYSA-N
MW415.62 g/mol
LogP4.27
Rot. Bonds12

About 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol

4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol (PubChem CID 91575983) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol
PubChem CID91575983
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC Name4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol
SMILESCC(C)OCCCCCCCC1C(N)CC(O)C1CCC(O)C#Cc1ccccc1
InChIInChI=1S/C26H41NO3/c1-20(2)30-18-10-5-3-4-9-13-23-24(26(29)19-25(23)27)17-16-22(28)15-14-21-11-7-6-8-12-21/h6-8,11-12,20,22-26,28-29H,3-5,9-10,13,16-19,27H2,1-2H3
InChIKeyDXPIYMQGIBCDQP-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol?
The IUPAC name of 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol (CID 91575983) is 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol.
What is the SMILES notation for 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol?
The canonical SMILES for 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol is CC(C)OCCCCCCCC1C(N)CC(O)C1CCC(O)C#Cc1ccccc1.
What is the InChIKey of 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol?
The InChIKey is DXPIYMQGIBCDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO3/c1-20(2)30-18-10-5-3-4-9-13-23-24(26(29)19-25(23)27)17-16-22(28)15-14-21-11-7-6-8-12-21/h6-8,11-12,20,22-26,28-29H,3-5,9-10,13,16-19,27H2,1-2H3.
What are the key properties of 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol?
4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol has a molecular weight of 415.62 g/mol, XLogP of 4.27, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-hydroxy-5-phenylpent-4-ynyl)-3-(7-propan-2-yloxyheptyl)cyclopentan-1-ol is sourced from PubChem (CID 91575983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).