N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

C20H23N3O3 — CID 3286150

IUPACN-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-5-15(2)18(12-14)22-19(24)10-11-20(25)23-21-13-16-6-8-17(26-3)9-7-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAEAVMCABUBCQGZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds7

About N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide

N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 3286150) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
PubChem CID3286150
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-5-15(2)18(12-14)22-19(24)10-11-20(25)23-21-13-16-6-8-17(26-3)9-7-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAEAVMCABUBCQGZ-UHFFFAOYSA-N
XLogP3.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
CID 4290564
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4537562
4-methoxy-N-[3-[2-[(4-methylphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3970105
4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (CID 3286150) is N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is COc1ccc(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is AEAVMCABUBCQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-4-5-15(2)18(12-14)22-19(24)10-11-20(25)23-21-13-16-6-8-17(26-3)9-7-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3286150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).