2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide

C19H21N3O4 — CID 3105443

IUPAC2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
SMILESCOc1ccc(CNC(=O)CC(C)=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H21N3O4/c1-13(21-22-19(25)16-5-3-4-6-17(16)23)11-18(24)20-12-14-7-9-15(26-2)10-8-14/h3-10,23H,11-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyUCPMOPLQKPRIEK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.21
Rot. Bonds7

About 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide

2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 3105443) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID3105443
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
SMILESCOc1ccc(CNC(=O)CC(C)=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H21N3O4/c1-13(21-22-19(25)16-5-3-4-6-17(16)23)11-18(24)20-12-14-7-9-15(26-2)10-8-14/h3-10,23H,11-12H2,1-2H3,(H,20,24)(H,22,25)
InChIKeyUCPMOPLQKPRIEK-UHFFFAOYSA-N
XLogP2.21
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.21
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

5-chloro-2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
CID 3105445
3-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
CID 3105446
N-[[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 3610690
(4-methoxyphenyl)methyl N-[(Z)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 92540458
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-[[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-2-fluorobenzamide
CID 3130015
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide (CID 3105443) is 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide is COc1ccc(CNC(=O)CC(C)=NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is UCPMOPLQKPRIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(21-22-19(25)16-5-3-4-6-17(16)23)11-18(24)20-12-14-7-9-15(26-2)10-8-14/h3-10,23H,11-12H2,1-2H3,(H,20,24)(H,22,25).
What are the key properties of 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide?
2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 3105443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).