N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide

C22H27N3O2 — CID 6122698

IUPACN-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
SMILESCCC/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-19-12-11-16(2)17(3)15-19/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27)/b24-20+
InChIKeyADSCQPOUWFKRRD-HIXSDJFHSA-N
MW365.48 g/mol
LogP4.34
Rot. Bonds8

About N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide

N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide (PubChem CID 6122698) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
PubChem CID6122698
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
SMILESCCC/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-19-12-11-16(2)17(3)15-19/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27)/b24-20+
InChIKeyADSCQPOUWFKRRD-HIXSDJFHSA-N
XLogP4.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.34
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'-(1-phenylbutylideneamino)butanediamide
CID 3323455
N-(3,4-dimethylphenyl)-N'-[(E)-heptan-2-ylideneamino]butanediamide
CID 54784789
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide (CID 6122698) is N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide is CCC/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide?
The InChIKey is ADSCQPOUWFKRRD-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-19-12-11-16(2)17(3)15-19/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27)/b24-20+.
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide?
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide has a molecular weight of 365.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide is sourced from PubChem (CID 6122698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).