N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide

C22H26N4O2 — CID 3314148

IUPACN,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
SMILESCCc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(CC)cc2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-17-5-9-19(10-6-17)15-23-25-21(27)13-14-22(28)26-24-16-20-11-7-18(4-2)8-12-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGVWKGKMNPCQIAC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.19
Rot. Bonds9

About N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide

N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide (PubChem CID 3314148) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
PubChem CID3314148
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
SMILESCCc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(CC)cc2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-17-5-9-19(10-6-17)15-23-25-21(27)13-14-22(28)26-24-16-20-11-7-18(4-2)8-12-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGVWKGKMNPCQIAC-UHFFFAOYSA-N
XLogP3.19
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.19
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-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]propanamide
CID 6863881
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
[(4-ethylphenyl)methylideneamino]thiourea
CID 724608

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide (CID 3314148) is N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide is CCc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(CC)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide?
The InChIKey is GVWKGKMNPCQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-17-5-9-19(10-6-17)15-23-25-21(27)13-14-22(28)26-24-16-20-11-7-18(4-2)8-12-20/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide?
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide has a molecular weight of 378.48 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3314148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).