N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide

C21H25N3O3 — CID 3421421

IUPACN-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
SMILESCCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C21H25N3O3/c1-3-13-27-18-9-6-8-17(14-18)15-22-24-21(26)12-11-20(25)23-19-10-5-4-7-16(19)2/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCFMVEXUUYUYFAS-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.65
Rot. Bonds9

About N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide

N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide (PubChem CID 3421421) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
PubChem CID3421421
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
SMILESCCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C21H25N3O3/c1-3-13-27-18-9-6-8-17(14-18)15-22-24-21(26)12-11-20(25)23-19-10-5-4-7-16(19)2/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCFMVEXUUYUYFAS-UHFFFAOYSA-N
XLogP3.65
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.65
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'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
methyl 2-[3-[[[4-(2,3-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3501865
N'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4264592
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3675833
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide (CID 3421421) is N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide is CCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2C)c1.
What is the InChIKey of N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide?
The InChIKey is CFMVEXUUYUYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-13-27-18-9-6-8-17(14-18)15-22-24-21(26)12-11-20(25)23-19-10-5-4-7-16(19)2/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide?
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).