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

C15H19NO2 — CID 60804524

IUPACN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C)c(C#CCO)c1
InChIInChI=1S/C15H19NO2/c1-11(2)9-15(18)16-14-7-6-12(3)10-13(14)5-4-8-17/h6-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUAZLWYWLKGNMPH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.32
Rot. Bonds3

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

N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide (PubChem CID 60804524) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
PubChem CID60804524
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C)c(C#CCO)c1
InChIInChI=1S/C15H19NO2/c1-11(2)9-15(18)16-14-7-6-12(3)10-13(14)5-4-8-17/h6-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUAZLWYWLKGNMPH-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)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60802619
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60802956
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81331233
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-propan-2-ylurea
CID 82766205
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylbutanamide
CID 82766895

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide (CID 60804524) is N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide is Cc1ccc(NC(=O)CC(C)C)c(C#CCO)c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide?
The InChIKey is UAZLWYWLKGNMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)9-15(18)16-14-7-6-12(3)10-13(14)5-4-8-17/h6-7,10-11,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide?
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-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)-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 60804524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).