N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide

C15H21NO — CID 170488487

IUPACN-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO/c1-12(2)15-9-6-8-14(11-15)7-4-5-10-16-13(3)17/h4,6-9,11-12H,5,10H2,1-3H3,(H,16,17)
InChIKeyQCUWMBADHBTTFO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide

N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide (PubChem CID 170488487) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
PubChem CID170488487
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO/c1-12(2)15-9-6-8-14(11-15)7-4-5-10-16-13(3)17/h4,6-9,11-12H,5,10H2,1-3H3,(H,16,17)
InChIKeyQCUWMBADHBTTFO-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.35
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-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-[3-(bromomethyl)phenyl]but-3-enyl]acetamide
CID 170489715
N-[4-(3-cyanophenyl)but-3-enyl]acetamide
CID 170488372
methyl 4-(3-propan-2-ylphenyl)but-3-enoate
CID 170500709
4-(3-propan-2-ylphenyl)but-3-enal
CID 170481683
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
CID 170489391
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide (CID 170488487) is N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cccc(C(C)C)c1.
What is the InChIKey of N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide?
The InChIKey is QCUWMBADHBTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)15-9-6-8-14(11-15)7-4-5-10-16-13(3)17/h4,6-9,11-12H,5,10H2,1-3H3,(H,16,17).
What are the key properties of N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide?
N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide has a molecular weight of 231.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).