N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide

C18H23NO2 — CID 65023222

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)C1CCCCCCC1
InChIInChI=1S/C18H23NO2/c20-14-6-7-15-10-12-17(13-11-15)19-18(21)16-8-4-2-1-3-5-9-16/h10-13,16,20H,1-5,8-9,14H2,(H,19,21)
InChIKeyDVLMHLSYMKIZLA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide (PubChem CID 65023222) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
PubChem CID65023222
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)C1CCCCCCC1
InChIInChI=1S/C18H23NO2/c20-14-6-7-15-10-12-17(13-11-15)19-18(21)16-8-4-2-1-3-5-9-16/h10-13,16,20H,1-5,8-9,14H2,(H,19,21)
InChIKeyDVLMHLSYMKIZLA-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60805037
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide (CID 65023222) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide is O=C(Nc1ccc(C#CCO)cc1)C1CCCCCCC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide?
The InChIKey is DVLMHLSYMKIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-14-6-7-15-10-12-17(13-11-15)19-18(21)16-8-4-2-1-3-5-9-16/h10-13,16,20H,1-5,8-9,14H2,(H,19,21).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide is sourced from PubChem (CID 65023222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).