N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide

C18H25NO2 — CID 114753322

IUPACN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C#CCO)cc1CC
InChIInChI=1S/C18H25NO2/c1-3-5-6-7-10-18(21)19-17-12-11-15(9-8-13-20)14-16(17)4-2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyDWXRIGRBQICLDH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.50
Rot. Bonds7

About N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide (PubChem CID 114753322) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
PubChem CID114753322
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(C#CCO)cc1CC
InChIInChI=1S/C18H25NO2/c1-3-5-6-7-10-18(21)19-17-12-11-15(9-8-13-20)14-16(17)4-2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyDWXRIGRBQICLDH-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.50
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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81287490
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 81287916
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide?
The IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide (CID 114753322) is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide.
What is the SMILES notation for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide?
The canonical SMILES for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(C#CCO)cc1CC.
What is the InChIKey of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide?
The InChIKey is DWXRIGRBQICLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-5-6-7-10-18(21)19-17-12-11-15(9-8-13-20)14-16(17)4-2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide?
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide has a molecular weight of 287.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide is sourced from PubChem (CID 114753322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).