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

C32H30N4O4 — CID 3730577

IUPACN,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H30N4O4/c37-31(35-33-21-25-11-15-29(16-12-25)39-23-27-7-3-1-4-8-27)19-20-32(38)36-34-22-26-13-17-30(18-14-26)40-24-28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2,(H,35,37)(H,36,38)
InChIKeyDCQCVVWVDUKNGO-UHFFFAOYSA-N
MW534.62 g/mol
LogP5.23
Rot. Bonds13

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

N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide (PubChem CID 3730577) has the molecular formula C32H30N4O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
PubChem CID3730577
Molecular FormulaC32H30N4O4
Molecular Weight534.62 g/mol
Exact Mass534.23
IUPAC NameN,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H30N4O4/c37-31(35-33-21-25-11-15-29(16-12-25)39-23-27-7-3-1-4-8-27)19-20-32(38)36-34-22-26-13-17-30(18-14-26)40-24-28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2,(H,35,37)(H,36,38)
InChIKeyDCQCVVWVDUKNGO-UHFFFAOYSA-N
XLogP5.23
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5244013
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 96874114

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide (CID 3730577) is N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is DCQCVVWVDUKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4/c37-31(35-33-21-25-11-15-29(16-12-25)39-23-27-7-3-1-4-8-27)19-20-32(38)36-34-22-26-13-17-30(18-14-26)40-24-28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2,(H,35,37)(H,36,38).
What are the key properties of N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 534.62 g/mol, XLogP of 5.23, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3730577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).