N-[(E)-but-2-enyl]-3-methylbenzamide

C12H15NO — CID 178010009

IUPACN-[(E)-but-2-enyl]-3-methylbenzamide
SMILESC/C=C/CNC(=O)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKeyPJRGCEJYTRJWII-ONEGZZNKSA-N
MW189.26 g/mol
LogP2.30
Rot. Bonds3

About N-[(E)-but-2-enyl]-3-methylbenzamide

N-[(E)-but-2-enyl]-3-methylbenzamide (PubChem CID 178010009) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-methylbenzamide
PubChem CID178010009
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(E)-but-2-enyl]-3-methylbenzamide
SMILESC/C=C/CNC(=O)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKeyPJRGCEJYTRJWII-ONEGZZNKSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-phenacylbenzamide
CID 3417494
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
CID 175163770
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-methylbenzamide?
The IUPAC name of N-[(E)-but-2-enyl]-3-methylbenzamide (CID 178010009) is N-[(E)-but-2-enyl]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-methylbenzamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3-methylbenzamide is C/C=C/CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[(E)-but-2-enyl]-3-methylbenzamide?
The InChIKey is PJRGCEJYTRJWII-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-3-methylbenzamide?
N-[(E)-but-2-enyl]-3-methylbenzamide has a molecular weight of 189.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-methylbenzamide is sourced from PubChem (CID 178010009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).