N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide

C18H25NO2 — CID 65426940

IUPACN-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-7-13-18(21)19-17-12-8-10-16(15-17)11-9-14-20/h8,10,12,15,20H,2-7,13-14H2,1H3,(H,19,21)
InChIKeyHOCBNFOLJJGKBS-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.72
Rot. Bonds8

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

N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide (PubChem CID 65426940) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
PubChem CID65426940
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-7-13-18(21)19-17-12-8-10-16(15-17)11-9-14-20/h8,10,12,15,20H,2-7,13-14H2,1H3,(H,19,21)
InChIKeyHOCBNFOLJJGKBS-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)octanamide
CID 4958584
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-ethylphenyl)decanamide
CID 4053743

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide (CID 65426940) is N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide is CCCCCCCCC(=O)Nc1cccc(C#CCO)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide?
The InChIKey is HOCBNFOLJJGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-13-18(21)19-17-12-8-10-16(15-17)11-9-14-20/h8,10,12,15,20H,2-7,13-14H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide?
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide has a molecular weight of 287.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide is sourced from PubChem (CID 65426940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).