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

C13H18N2O — CID 170488388

IUPACN-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C)c(N)c1
InChIInChI=1S/C13H18N2O/c1-10-6-7-12(9-13(10)14)5-3-4-8-15-11(2)16/h3,5-7,9H,4,8,14H2,1-2H3,(H,15,16)
InChIKeyOIVHILWYEZGBDO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds4

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

N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide (PubChem CID 170488388) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
PubChem CID170488388
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C)c(N)c1
InChIInChI=1S/C13H18N2O/c1-10-6-7-12(9-13(10)14)5-3-4-8-15-11(2)16/h3,5-7,9H,4,8,14H2,1-2H3,(H,15,16)
InChIKeyOIVHILWYEZGBDO-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
N-[4-(4-cyano-3-methylphenyl)but-3-enyl]acetamide
CID 170488699
N-[4-(4-methyl-3-nitrophenyl)but-3-enyl]acetamide
CID 170489127
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(4-amino-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170488732
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
methyl 5-(4-acetamidobut-1-enyl)-3-amino-2-methylbenzoate
CID 170489571

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide (CID 170488388) is N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(C)c(N)c1.
What is the InChIKey of N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide?
The InChIKey is OIVHILWYEZGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-6-7-12(9-13(10)14)5-3-4-8-15-11(2)16/h3,5-7,9H,4,8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide?
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).