3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide

C14H18N2O3 — CID 59016635

IUPAC3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
SMILESCOc1cccc(C(=O)NN=C2CCOCC2)c1C
InChIInChI=1S/C14H18N2O3/c1-10-12(4-3-5-13(10)18-2)14(17)16-15-11-6-8-19-9-7-11/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyRHNUZEKKFPDSQD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds3

About 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide

3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide (PubChem CID 59016635) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
PubChem CID59016635
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
SMILESCOc1cccc(C(=O)NN=C2CCOCC2)c1C
InChIInChI=1S/C14H18N2O3/c1-10-12(4-3-5-13(10)18-2)14(17)16-15-11-6-8-19-9-7-11/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyRHNUZEKKFPDSQD-UHFFFAOYSA-N
XLogP1.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
3-methoxy-2-methylbenzohydrazide
CID 45091273
methyl 3-methoxy-2-methylbenzoate
CID 12527049
3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide
CID 59016603
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
3-methoxy-2-methylbenzoyl isocyanate
CID 152742817
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide (CID 59016635) is 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide is COc1cccc(C(=O)NN=C2CCOCC2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide?
The InChIKey is RHNUZEKKFPDSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-12(4-3-5-13(10)18-2)14(17)16-15-11-6-8-19-9-7-11/h3-5H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide?
3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide is sourced from PubChem (CID 59016635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).