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

C16H21NO2 — CID 114875840

IUPACN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C16H21NO2/c1-4-12(2)11-16(19)17-15-10-13(3)7-8-14(15)6-5-9-18/h7-8,10,12,18H,4,9,11H2,1-3H3,(H,17,19)
InChIKeyGXZNNRODRDEXKP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds4

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

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide (PubChem CID 114875840) 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]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
PubChem CID114875840
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C16H21NO2/c1-4-12(2)11-16(19)17-15-10-13(3)7-8-14(15)6-5-9-18/h7-8,10,12,18H,4,9,11H2,1-3H3,(H,17,19)
InChIKeyGXZNNRODRDEXKP-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-methylbutanamide
CID 82766895
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
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]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
CID 82747365
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 107577890
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
CID 114875807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide (CID 114875840) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide is CCC(C)CC(=O)Nc1cc(C)ccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide?
The InChIKey is GXZNNRODRDEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-12(2)11-16(19)17-15-10-13(3)7-8-14(15)6-5-9-18/h7-8,10,12,18H,4,9,11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-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]-3-methylpentanamide is sourced from PubChem (CID 114875840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).