4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide

C20H23N3O4 — CID 6019682

IUPAC4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1O
InChIInChI=1S/C20H23N3O4/c1-20(2,3)19(26)22-15-8-6-14(7-9-15)18(25)23-21-12-13-5-10-17(27-4)16(24)11-13/h5-12,24H,1-4H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyNUKYHARRUOUBAS-MTJSOVHGSA-N
MW369.42 g/mol
LogP3.15
Rot. Bonds5

About 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide

4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6019682) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID6019682
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1O
InChIInChI=1S/C20H23N3O4/c1-20(2,3)19(26)22-15-8-6-14(7-9-15)18(25)23-21-12-13-5-10-17(27-4)16(24)11-13/h5-12,24H,1-4H3,(H,22,26)(H,23,25)/b21-12-
InChIKeyNUKYHARRUOUBAS-MTJSOVHGSA-N
XLogP3.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 135685561

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (CID 6019682) is 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1O.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is NUKYHARRUOUBAS-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)19(26)22-15-8-6-14(7-9-15)18(25)23-21-12-13-5-10-17(27-4)16(24)11-13/h5-12,24H,1-4H3,(H,22,26)(H,23,25)/b21-12-.
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6019682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).