4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide

C15H18N2O2 — CID 102603422

IUPAC4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C=NOC)cc1
InChIInChI=1S/C15H18N2O2/c1-4-10-17(11-5-2)15(18)14-8-6-13(7-9-14)12-16-19-3/h4-9,12H,1-2,10-11H2,3H3
InChIKeyCTHNRKIPJSYMHI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds7

About 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide

4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 102603422) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
PubChem CID102603422
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C=NOC)cc1
InChIInChI=1S/C15H18N2O2/c1-4-10-17(11-5-2)15(18)14-8-6-13(7-9-14)12-16-19-3/h4-9,12H,1-2,10-11H2,3H3
InChIKeyCTHNRKIPJSYMHI-UHFFFAOYSA-N
XLogP2.48
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylbenzamide
CID 15542
N,N-Diethyl-p-toluamide
CID 75946
N,N-Dibutylbenzamide
CID 32774
1-(4-Methylbenzoyl)pyrrolidine
CID 721203
N-methyl-4-toluohydroxamic acid
CID 150934
4-[(2,2-dimethylpropanoylamino)methyl]-N-hydroxybenzamide
CID 73333312
4-[[benzoyl(methyl)amino]methyl]-N-hydroxybenzamide
CID 168279961
N,N-Bis(1-methylethyl)benzamide
CID 88516
N,N-dihexylbenzamide
CID 4577308
N-Methoxy-N,4-dimethylbenzamide
CID 5133773
N-hydroxy-4-[(pentanoylamino)methyl]benzamide
CID 44361923
1-Acetyl-4-[(4-methylphenyl)carbonyl]piperazine
CID 27046747

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide (CID 102603422) is 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(C=NOC)cc1.
What is the InChIKey of 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is CTHNRKIPJSYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-10-17(11-5-2)15(18)14-8-6-13(7-9-14)12-16-19-3/h4-9,12H,1-2,10-11H2,3H3.
What are the key properties of 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide?
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 102603422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).