N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide

C13H17NO2 — CID 170488274

IUPACN-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cc(C)ccc1O
InChIInChI=1S/C13H17NO2/c1-10-6-7-13(16)12(9-10)5-3-4-8-14-11(2)15/h3,5-7,9,16H,4,8H2,1-2H3,(H,14,15)
InChIKeyDPQPDMNDYGSSIN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.24
Rot. Bonds4

About N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide

N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide (PubChem CID 170488274) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
PubChem CID170488274
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cc(C)ccc1O
InChIInChI=1S/C13H17NO2/c1-10-6-7-13(16)12(9-10)5-3-4-8-14-11(2)15/h3,5-7,9,16H,4,8H2,1-2H3,(H,14,15)
InChIKeyDPQPDMNDYGSSIN-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
5-(4-acetamidobut-1-enyl)-2,4-dihydroxybenzoic acid
CID 170489183
N-[4-(3-hydroxy-6-methyl-2-pyridinyl)but-3-enyl]acetamide
CID 170488435
4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
CID 170483189
N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489234
N-[4-[4-(hydroxymethyl)-2-methylphenyl]but-3-enyl]acetamide
CID 170488595
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702
2-(4-acetamidobut-1-enyl)-4-fluorobenzamide
CID 170489130
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(2,5-difluoro-4-formylphenyl)but-3-enyl]acetamide
CID 170488999

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide (CID 170488274) is N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cc(C)ccc1O.
What is the InChIKey of N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide?
The InChIKey is DPQPDMNDYGSSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-7-13(16)12(9-10)5-3-4-8-14-11(2)15/h3,5-7,9,16H,4,8H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide?
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).