4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide

C18H21N3O2 — CID 5336356

IUPAC4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(15-6-5-7-17(12-15)23-4)19-20-18(22)14-8-10-16(11-9-14)21(2)3/h5-12H,1-4H3,(H,20,22)/b19-13+
InChIKeyIXUKFOUQLSPSBE-CPNJWEJPSA-N
MW311.39 g/mol
LogP2.92
Rot. Bonds5

About 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide

4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 5336356) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide
PubChem CID5336356
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(15-6-5-7-17(12-15)23-4)19-20-18(22)14-8-10-16(11-9-14)21(2)3/h5-12H,1-4H3,(H,20,22)/b19-13+
InChIKeyIXUKFOUQLSPSBE-CPNJWEJPSA-N
XLogP2.92
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.92
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

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CID 758936
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CID 6898294
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
(5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647033
(5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647040
3-[4-[[2-[(4-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352035
3-[4-[[2-[(2-methoxyphenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44352133
4-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 4609705
4-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6909766
(3Z)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-methyl-N-phenylbutanamide
CID 6385478
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (4-methoxy-benzylidene)-hydrazide
CID 5331402

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide (CID 5336356) is 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide is COc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is IXUKFOUQLSPSBE-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(15-6-5-7-17(12-15)23-4)19-20-18(22)14-8-10-16(11-9-14)21(2)3/h5-12H,1-4H3,(H,20,22)/b19-13+.
What are the key properties of 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5336356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).