1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine

C24H24N2O2 — CID 87328837

IUPAC1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
SMILESCC(CC(=NOCc1ccccc1)c1ccccc1)=NOCc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-20(25-27-18-21-11-5-2-6-12-21)17-24(23-15-9-4-10-16-23)26-28-19-22-13-7-3-8-14-22/h2-16H,17-19H2,1H3
InChIKeyULKRNBOIGKENHQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.59
Rot. Bonds9

About 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine

1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine (PubChem CID 87328837) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine.

Molecular Properties

Compound Name1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
PubChem CID87328837
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
SMILESCC(CC(=NOCc1ccccc1)c1ccccc1)=NOCc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-20(25-27-18-21-11-5-2-6-12-21)17-24(23-15-9-4-10-16-23)26-28-19-22-13-7-3-8-14-22/h2-16H,17-19H2,1H3
InChIKeyULKRNBOIGKENHQ-UHFFFAOYSA-N
XLogP5.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
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

1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
(3Z,5E)-1,5-diphenyl-3,5-bis(phenylmethoxyimino)pentan-1-one
CID 88532089
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(E)-1-[3-(isocyanatomethyl)phenyl]-N-phenylmethoxyethanimine
CID 18388874
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
CID 91699647
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine?
The IUPAC name of 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine (CID 87328837) is 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine.
What is the SMILES notation for 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine?
The canonical SMILES for 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine is CC(CC(=NOCc1ccccc1)c1ccccc1)=NOCc1ccccc1.
What is the InChIKey of 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine?
The InChIKey is ULKRNBOIGKENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-20(25-27-18-21-11-5-2-6-12-21)17-24(23-15-9-4-10-16-23)26-28-19-22-13-7-3-8-14-22/h2-16H,17-19H2,1H3.
What are the key properties of 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine?
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine has a molecular weight of 372.47 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine is sourced from PubChem (CID 87328837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).