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

C18H21N3O3 — CID 135685330

IUPAC4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)ccc1O
InChIInChI=1S/C18H21N3O3/c1-12(14-7-10-16(22)17(11-14)24-4)19-20-18(23)13-5-8-15(9-6-13)21(2)3/h5-11,22H,1-4H3,(H,20,23)/b19-12+
InChIKeyKBCKCYNNFYEGMN-XDHOZWIPSA-N
MW327.38 g/mol
LogP2.62
Rot. Bonds5

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

4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 135685330) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
PubChem CID135685330
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)ccc1O
InChIInChI=1S/C18H21N3O3/c1-12(14-7-10-16(22)17(11-14)24-4)19-20-18(23)13-5-8-15(9-6-13)21(2)3/h5-11,22H,1-4H3,(H,20,23)/b19-12+
InChIKeyKBCKCYNNFYEGMN-XDHOZWIPSA-N
XLogP2.62
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-nitrobenzamide
CID 135615299
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
3-(3,4-dimethoxyphenyl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3413332
4-hydroxy-3-methoxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 24818435

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (CID 135685330) is 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is COc1cc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)ccc1O.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is KBCKCYNNFYEGMN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(14-7-10-16(22)17(11-14)24-4)19-20-18(23)13-5-8-15(9-6-13)21(2)3/h5-11,22H,1-4H3,(H,20,23)/b19-12+.
What are the key properties of 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135685330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).