3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide

C21H32N2O2 — CID 59016603

IUPAC3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(/C=C(\C)C(C)(C)C)C(C)(C)C)c1C
InChIInChI=1S/C21H32N2O2/c1-14(20(3,4)5)13-18(21(6,7)8)22-23-19(24)16-11-10-12-17(25-9)15(16)2/h10-13H,1-9H3,(H,23,24)/b14-13+,22-18?
InChIKeyWTNGPRHFTRPASB-QUILAZDKSA-N
MW344.50 g/mol
LogP5.13
Rot. Bonds4

About 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide

3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide (PubChem CID 59016603) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide
PubChem CID59016603
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide
SMILESCOc1cccc(C(=O)NN=C(/C=C(\C)C(C)(C)C)C(C)(C)C)c1C
InChIInChI=1S/C21H32N2O2/c1-14(20(3,4)5)13-18(21(6,7)8)22-23-19(24)16-11-10-12-17(25-9)15(16)2/h10-13H,1-9H3,(H,23,24)/b14-13+,22-18?
InChIKeyWTNGPRHFTRPASB-QUILAZDKSA-N
XLogP5.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-methoxy-2-methylbenzohydrazide
CID 45091273
N'-[(E)-1-cyano-3,3-dimethylbut-1-en-2-yl]-3-methoxy-2-methylbenzohydrazide
CID 59016617
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
methyl 3-methoxy-2-methylbenzoate
CID 12527049
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
CID 59016635
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
3-methoxy-2-methylbenzoyl isocyanate
CID 152742817
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide (CID 59016603) is 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide is COc1cccc(C(=O)NN=C(/C=C(\C)C(C)(C)C)C(C)(C)C)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide?
The InChIKey is WTNGPRHFTRPASB-QUILAZDKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(20(3,4)5)13-18(21(6,7)8)22-23-19(24)16-11-10-12-17(25-9)15(16)2/h10-13H,1-9H3,(H,23,24)/b14-13+,22-18?.
What are the key properties of 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide?
3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide has a molecular weight of 344.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[[(E)-2,2,5,6,6-pentamethylhept-4-en-3-ylidene]amino]benzamide is sourced from PubChem (CID 59016603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).