N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

C19H20IN3O3 — CID 4596964

IUPACN-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C19H20IN3O3/c1-13-11-15(20)5-8-17(13)22-18(24)9-10-19(25)23-21-12-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPOACSIDEYYXJKX-UHFFFAOYSA-N
MW465.29 g/mol
LogP3.48
Rot. Bonds7

About N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 4596964) has the molecular formula C19H20IN3O3 and a molecular weight of 465.29 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
PubChem CID4596964
Molecular FormulaC19H20IN3O3
Molecular Weight465.29 g/mol
Exact Mass465.05
IUPAC NameN-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C19H20IN3O3/c1-13-11-15(20)5-8-17(13)22-18(24)9-10-19(25)23-21-12-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPOACSIDEYYXJKX-UHFFFAOYSA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3894268
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 4037663

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (CID 4596964) is N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is COc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is POACSIDEYYXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O3/c1-13-11-15(20)5-8-17(13)22-18(24)9-10-19(25)23-21-12-14-3-6-16(26-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 465.29 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).