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

C15H19NO2 — CID 82766895

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C15H19NO2/c1-4-12(3)15(18)16-14-10-11(2)7-8-13(14)6-5-9-17/h7-8,10,12,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyNKNIEDHXVHRONI-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.32
Rot. Bonds3

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

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide (PubChem CID 82766895) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
PubChem CID82766895
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C15H19NO2/c1-4-12(3)15(18)16-14-10-11(2)7-8-13(14)6-5-9-17/h7-8,10,12,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyNKNIEDHXVHRONI-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.32
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
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
CID 82747365
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclobutanecarboxamide
CID 82767269
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021924
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359
1-cyclohexyl-3-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]urea
CID 82750019

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide (CID 82766895) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cc(C)ccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide?
The InChIKey is NKNIEDHXVHRONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-12(3)15(18)16-14-10-11(2)7-8-13(14)6-5-9-17/h7-8,10,12,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide has a molecular weight of 245.32 g/mol, XLogP of 2.32, 3 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]-2-methylbutanamide is sourced from PubChem (CID 82766895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).