N-(1-methoxybut-3-enyl)benzamide

C12H15NO2 — CID 3700027

IUPACN-(1-methoxybut-3-enyl)benzamide
SMILESC=CCC(NC(=O)c1ccccc1)OC
InChIInChI=1S/C12H15NO2/c1-3-7-11(15-2)13-12(14)10-8-5-4-6-9-10/h3-6,8-9,11H,1,7H2,2H3,(H,13,14)
InChIKeyJIJPXRJKMGRIDU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.97
Rot. Bonds5

About N-(1-methoxybut-3-enyl)benzamide

N-(1-methoxybut-3-enyl)benzamide (PubChem CID 3700027) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(1-methoxybut-3-enyl)benzamide.

Molecular Properties

Compound NameN-(1-methoxybut-3-enyl)benzamide
PubChem CID3700027
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(1-methoxybut-3-enyl)benzamide
SMILESC=CCC(NC(=O)c1ccccc1)OC
InChIInChI=1S/C12H15NO2/c1-3-7-11(15-2)13-12(14)10-8-5-4-6-9-10/h3-6,8-9,11H,1,7H2,2H3,(H,13,14)
InChIKeyJIJPXRJKMGRIDU-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropyl)benzamide
CID 102478557
N-[(4S,5S,6R)-5,6-dihydroxyhept-1-en-4-yl]benzamide
CID 12775367
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
prop-2-enyl 2-benzamidopropanoate
CID 2910482
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
N-(2,2-dichloro-1-methoxyethyl)benzamide
CID 3544420
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
methyl (2S)-2-benzamidopropanoate
CID 6364617
propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
CID 23154580

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybut-3-enyl)benzamide?
The IUPAC name of N-(1-methoxybut-3-enyl)benzamide (CID 3700027) is N-(1-methoxybut-3-enyl)benzamide.
What is the SMILES notation for N-(1-methoxybut-3-enyl)benzamide?
The canonical SMILES for N-(1-methoxybut-3-enyl)benzamide is C=CCC(NC(=O)c1ccccc1)OC.
What is the InChIKey of N-(1-methoxybut-3-enyl)benzamide?
The InChIKey is JIJPXRJKMGRIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-11(15-2)13-12(14)10-8-5-4-6-9-10/h3-6,8-9,11H,1,7H2,2H3,(H,13,14).
What are the key properties of N-(1-methoxybut-3-enyl)benzamide?
N-(1-methoxybut-3-enyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybut-3-enyl)benzamide is sourced from PubChem (CID 3700027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).