N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide

C20H23N3O3 — CID 5141586

IUPACN-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
SMILESCCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H23N3O3/c1-2-18(16-8-10-17(24)11-9-16)22-23-20(26)13-12-19(25)21-14-15-6-4-3-5-7-15/h3-11,24H,2,12-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyUVBISUAIXKWGDB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.72
Rot. Bonds8

About N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide

N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide (PubChem CID 5141586) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
PubChem CID5141586
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
SMILESCCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H23N3O3/c1-2-18(16-8-10-17(24)11-9-16)22-23-20(26)13-12-19(25)21-14-15-6-4-3-5-7-15/h3-11,24H,2,12-14H2,1H3,(H,21,25)(H,23,26)
InChIKeyUVBISUAIXKWGDB-UHFFFAOYSA-N
XLogP2.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
N-(1-phenylpropylideneamino)pentanamide
CID 4996868

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The IUPAC name of N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide (CID 5141586) is N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide.
What is the SMILES notation for N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The canonical SMILES for N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide is CCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide?
The InChIKey is UVBISUAIXKWGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-18(16-8-10-17(24)11-9-16)22-23-20(26)13-12-19(25)21-14-15-6-4-3-5-7-15/h3-11,24H,2,12-14H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide?
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide has a molecular weight of 353.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide is sourced from PubChem (CID 5141586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).