N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide

C20H23N3O4 — CID 135685561

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1O
InChIInChI=1S/C20H23N3O4/c1-13(2)10-19(25)22-16-7-5-15(6-8-16)20(26)23-21-12-14-4-9-17(24)18(11-14)27-3/h4-9,11-13,24H,10H2,1-3H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyADSXQFMSHOJLTN-CIAFOILYSA-N
MW369.42 g/mol
LogP3.15
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide (PubChem CID 135685561) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
PubChem CID135685561
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1O
InChIInChI=1S/C20H23N3O4/c1-13(2)10-19(25)22-16-7-5-15(6-8-16)20(26)23-21-12-14-4-9-17(24)18(11-14)27-3/h4-9,11-13,24H,10H2,1-3H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyADSXQFMSHOJLTN-CIAFOILYSA-N
XLogP3.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
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

4-(aminomethyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135899399
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 135613940
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135716571
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
4-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924445

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide (CID 135685561) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide is COc1cc(/C=N/NC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide?
The InChIKey is ADSXQFMSHOJLTN-CIAFOILYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)10-19(25)22-16-7-5-15(6-8-16)20(26)23-21-12-14-4-9-17(24)18(11-14)27-3/h4-9,11-13,24H,10H2,1-3H3,(H,22,25)(H,23,26)/b21-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 135685561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).