N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide

C16H21NO2 — CID 60803025

IUPACN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(C#CCCO)ccc1C
InChIInChI=1S/C16H21NO2/c1-3-4-8-16(19)17-15-12-14(7-5-6-11-18)10-9-13(15)2/h9-10,12,18H,3-4,6,8,11H2,1-2H3,(H,17,19)
InChIKeyPHOLUPYRWWOWRO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds5

About N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide

N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide (PubChem CID 60803025) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
PubChem CID60803025
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(C#CCCO)ccc1C
InChIInChI=1S/C16H21NO2/c1-3-4-8-16(19)17-15-12-14(7-5-6-11-18)10-9-13(15)2/h9-10,12,18H,3-4,6,8,11H2,1-2H3,(H,17,19)
InChIKeyPHOLUPYRWWOWRO-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
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

N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021843
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
CID 60802341
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide (CID 60803025) is N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide is CCCCC(=O)Nc1cc(C#CCCO)ccc1C.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide?
The InChIKey is PHOLUPYRWWOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-4-8-16(19)17-15-12-14(7-5-6-11-18)10-9-13(15)2/h9-10,12,18H,3-4,6,8,11H2,1-2H3,(H,17,19).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide?
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide is sourced from PubChem (CID 60803025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).