[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate

C30H24N2O3 — CID 118304725

IUPAC[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O3/c33-27(21-31-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)35-28(34)22-32-30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyDLPSCMRGHFVNJG-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.13
Rot. Bonds8

About [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate (PubChem CID 118304725) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Name[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
PubChem CID118304725
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O3/c33-27(21-31-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)35-28(34)22-32-30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyDLPSCMRGHFVNJG-UHFFFAOYSA-N
XLogP5.13
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzhydrylideneamino)acetic acid
CID 118304722
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
CID 10984738
2-phenylethyl 2-(benzhydrylideneamino)acetate
CID 46702006
4,4-dimethylpentan-2-yl 2-(benzhydrylideneamino)acetate
CID 123558940
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate
CID 102188968
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
CID 155675021
bis(1-phenylethenyl) propanedioate
CID 89421618
3-(benzhydrylideneamino)propanal
CID 11447740

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate?
The IUPAC name of [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate (CID 118304725) is [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate?
The canonical SMILES for [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate is O=C(CN=C(c1ccccc1)c1ccccc1)OC(=O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate?
The InChIKey is DLPSCMRGHFVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c33-27(21-31-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)35-28(34)22-32-30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate?
[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate has a molecular weight of 460.53 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 118304725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).