2-O-(benzhydrylamino) 1-O-methyl oxalate

C16H15NO4 — CID 172828297

IUPAC2-O-(benzhydrylamino) 1-O-methyl oxalate
SMILESCOC(=O)C(=O)ONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-20-15(18)16(19)21-17-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3
InChIKeyVECWDXRXLMJOKQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.00
Rot. Bonds4

About 2-O-(benzhydrylamino) 1-O-methyl oxalate

2-O-(benzhydrylamino) 1-O-methyl oxalate (PubChem CID 172828297) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-O-(benzhydrylamino) 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-(benzhydrylamino) 1-O-methyl oxalate
PubChem CID172828297
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-O-(benzhydrylamino) 1-O-methyl oxalate
SMILESCOC(=O)C(=O)ONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-20-15(18)16(19)21-17-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3
InChIKeyVECWDXRXLMJOKQ-UHFFFAOYSA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-benzhydrylprop-2-enoate
CID 67016942
methyl 2-oxo-5,5-diphenylpentanoate
CID 18371006
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
methyl (3S)-3-phenyl-2-sulfinylbutanoate
CID 134877287
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403

Frequently Asked Questions

What is the IUPAC name of 2-O-(benzhydrylamino) 1-O-methyl oxalate?
The IUPAC name of 2-O-(benzhydrylamino) 1-O-methyl oxalate (CID 172828297) is 2-O-(benzhydrylamino) 1-O-methyl oxalate.
What is the SMILES notation for 2-O-(benzhydrylamino) 1-O-methyl oxalate?
The canonical SMILES for 2-O-(benzhydrylamino) 1-O-methyl oxalate is COC(=O)C(=O)ONC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-O-(benzhydrylamino) 1-O-methyl oxalate?
The InChIKey is VECWDXRXLMJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-15(18)16(19)21-17-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3.
What are the key properties of 2-O-(benzhydrylamino) 1-O-methyl oxalate?
2-O-(benzhydrylamino) 1-O-methyl oxalate has a molecular weight of 285.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(benzhydrylamino) 1-O-methyl oxalate is sourced from PubChem (CID 172828297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).