[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate

C38H32N2O4 — CID 10984738

IUPAC[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1COC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O4/c41-35(25-39-37(29-15-5-1-6-16-29)30-17-7-2-8-18-30)43-27-33-23-13-14-24-34(33)28-44-36(42)26-40-38(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-24H,25-28H2
InChIKeyZVBORNAQYWIERV-UHFFFAOYSA-N
MW580.68 g/mol
LogP6.85
Rot. Bonds12

About [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate

[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate (PubChem CID 10984738) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Name[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
PubChem CID10984738
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Name[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1COC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O4/c41-35(25-39-37(29-15-5-1-6-16-29)30-17-7-2-8-18-30)43-27-33-23-13-14-24-34(33)28-44-36(42)26-40-38(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-24H,25-28H2
InChIKeyZVBORNAQYWIERV-UHFFFAOYSA-N
XLogP6.85
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
2-phenylethyl 2-(benzhydrylideneamino)acetate
CID 46702006
2-(benzhydrylideneamino)acetic acid
CID 118304722
ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate
CID 102188968
4,4-dimethylpentan-2-yl 2-(benzhydrylideneamino)acetate
CID 123558940
[2-(3-oxobutanoyloxymethyl)phenyl]methyl 3-oxobutanoate
CID 70128159
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
ethyl 2-[[methylsulfanyl(phenyl)methylidene]amino]acetate
CID 11806671
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate?
The IUPAC name of [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate (CID 10984738) is [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate?
The canonical SMILES for [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate is O=C(CN=C(c1ccccc1)c1ccccc1)OCc1ccccc1COC(=O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate?
The InChIKey is ZVBORNAQYWIERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c41-35(25-39-37(29-15-5-1-6-16-29)30-17-7-2-8-18-30)43-27-33-23-13-14-24-34(33)28-44-36(42)26-40-38(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-24H,25-28H2.
What are the key properties of [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate?
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate has a molecular weight of 580.68 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 10984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).