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

C13H17NO — CID 170488073

IUPACN-[4-(3-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-11-6-5-8-13(10-11)7-3-4-9-14-12(2)15/h3,5-8,10H,4,9H2,1-2H3,(H,14,15)
InChIKeyRUIMRIVEMPNDHM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.53
Rot. Bonds4

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

N-[4-(3-methylphenyl)but-3-enyl]acetamide (PubChem CID 170488073) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)but-3-enyl]acetamide
PubChem CID170488073
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[4-(3-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-11-6-5-8-13(10-11)7-3-4-9-14-12(2)15/h3,5-8,10H,4,9H2,1-2H3,(H,14,15)
InChIKeyRUIMRIVEMPNDHM-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(bromomethyl)phenyl]but-3-enyl]acetamide
CID 170489715
N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
CID 170488487
N-[4-(3-cyanophenyl)but-3-enyl]acetamide
CID 170488372
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
1-methyl-3-pent-1-enylbenzene
CID 54093666
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(3-methylphenyl)but-3-enyl]acetamide (CID 170488073) is N-[4-(3-methylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(3-methylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(3-methylphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cccc(C)c1.
What is the InChIKey of N-[4-(3-methylphenyl)but-3-enyl]acetamide?
The InChIKey is RUIMRIVEMPNDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-5-8-13(10-11)7-3-4-9-14-12(2)15/h3,5-8,10H,4,9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(3-methylphenyl)but-3-enyl]acetamide?
N-[4-(3-methylphenyl)but-3-enyl]acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).