4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide

C19H21N3O4 — CID 39358783

IUPAC4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide
SMILESCc1cc(CCCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-13-6-7-16(11-17(13)22(25)26)12-20-21-19(24)5-3-4-15-8-9-18(23)14(2)10-15/h6-12,23H,3-5H2,1-2H3,(H,21,24)/b20-12+
InChIKeyNFOQPLUAEDXXOA-UDWIEESQSA-N
MW355.39 g/mol
LogP3.39
Rot. Bonds7

About 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide

4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide (PubChem CID 39358783) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide
PubChem CID39358783
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide
SMILESCc1cc(CCCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1O
InChIInChI=1S/C19H21N3O4/c1-13-6-7-16(11-17(13)22(25)26)12-20-21-19(24)5-3-4-15-8-9-18(23)14(2)10-15/h6-12,23H,3-5H2,1-2H3,(H,21,24)/b20-12+
InChIKeyNFOQPLUAEDXXOA-UDWIEESQSA-N
XLogP3.39
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 4552059
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 135764227
N-(2,5-dimethylphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]butanediamide
CID 5005941
N-(2,3-dimethylphenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4211406
N'-[(4-methyl-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4033368
N-(2-chlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4679765
4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3560480
4-(4-methoxy-3-methylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanamide
CID 6072098
1-butyl-3-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135731095
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796
N-(3-chloro-4-methylphenyl)-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3891908
3-hydroxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3883204

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide (CID 39358783) is 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide is Cc1cc(CCCC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide?
The InChIKey is NFOQPLUAEDXXOA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-6-7-16(11-17(13)22(25)26)12-20-21-19(24)5-3-4-15-8-9-18(23)14(2)10-15/h6-12,23H,3-5H2,1-2H3,(H,21,24)/b20-12+.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide?
4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide has a molecular weight of 355.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)-N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]butanamide is sourced from PubChem (CID 39358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).