N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide

C23H23N3O2 — CID 4037663

IUPACN-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-7-10-21(17(2)13-16)25-22(27)11-12-23(28)26-24-15-18-8-9-19-5-3-4-6-20(19)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCYHXGTRBODJKAC-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.33
Rot. Bonds6

About N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide

N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide (PubChem CID 4037663) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
PubChem CID4037663
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-7-10-21(17(2)13-16)25-22(27)11-12-23(28)26-24-15-18-8-9-19-5-3-4-6-20(19)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCYHXGTRBODJKAC-UHFFFAOYSA-N
XLogP4.33
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 135716444
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
CID 7933456

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide (CID 4037663) is N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide?
The InChIKey is CYHXGTRBODJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-10-21(17(2)13-16)25-22(27)11-12-23(28)26-24-15-18-8-9-19-5-3-4-6-20(19)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide?
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide has a molecular weight of 373.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide is sourced from PubChem (CID 4037663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).