N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide

C16H21NO2 — CID 82766423

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(C#CCO)c(NC(=O)CCC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)6-9-16(19)17-15-11-13(3)7-8-14(15)5-4-10-18/h7-8,11-12,18H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyOAJMYTSJVWJZHF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide (PubChem CID 82766423) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
PubChem CID82766423
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(C#CCO)c(NC(=O)CCC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)6-9-16(19)17-15-11-13(3)7-8-14(15)5-4-10-18/h7-8,11-12,18H,6,9-10H2,1-3H3,(H,17,19)
InChIKeyOAJMYTSJVWJZHF-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
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-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-(triazol-1-yl)propanamide
CID 82747458
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209924

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide (CID 82766423) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide is Cc1ccc(C#CCO)c(NC(=O)CCC(C)C)c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide?
The InChIKey is OAJMYTSJVWJZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)6-9-16(19)17-15-11-13(3)7-8-14(15)5-4-10-18/h7-8,11-12,18H,6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide is sourced from PubChem (CID 82766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).