benzhydryl 2-(oxamoylamino)-2-phenylacetate

C23H20N2O4 — CID 86736018

IUPACbenzhydryl 2-(oxamoylamino)-2-phenylacetate
SMILESNC(=O)C(=O)NC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O4/c24-21(26)22(27)25-19(16-10-4-1-5-11-16)23(28)29-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H,(H2,24,26)(H,25,27)
InChIKeyIIRCYQSUNMANHF-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.66
Rot. Bonds6

About benzhydryl 2-(oxamoylamino)-2-phenylacetate

benzhydryl 2-(oxamoylamino)-2-phenylacetate (PubChem CID 86736018) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is benzhydryl 2-(oxamoylamino)-2-phenylacetate.

Molecular Properties

Compound Namebenzhydryl 2-(oxamoylamino)-2-phenylacetate
PubChem CID86736018
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namebenzhydryl 2-(oxamoylamino)-2-phenylacetate
SMILESNC(=O)C(=O)NC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O4/c24-21(26)22(27)25-19(16-10-4-1-5-11-16)23(28)29-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H,(H2,24,26)(H,25,27)
InChIKeyIIRCYQSUNMANHF-UHFFFAOYSA-N
XLogP2.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl 2,2-dihydroxyacetate
CID 11076121
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
benzhydryl 2,2-dichloroacetate
CID 102144827
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl acetate;hydrazine
CID 122610283
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
benzhydryl (2R)-2-bromo-3-hydroxypropanoate
CID 125496353

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(oxamoylamino)-2-phenylacetate?
The IUPAC name of benzhydryl 2-(oxamoylamino)-2-phenylacetate (CID 86736018) is benzhydryl 2-(oxamoylamino)-2-phenylacetate.
What is the SMILES notation for benzhydryl 2-(oxamoylamino)-2-phenylacetate?
The canonical SMILES for benzhydryl 2-(oxamoylamino)-2-phenylacetate is NC(=O)C(=O)NC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(oxamoylamino)-2-phenylacetate?
The InChIKey is IIRCYQSUNMANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c24-21(26)22(27)25-19(16-10-4-1-5-11-16)23(28)29-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H,(H2,24,26)(H,25,27).
What are the key properties of benzhydryl 2-(oxamoylamino)-2-phenylacetate?
benzhydryl 2-(oxamoylamino)-2-phenylacetate has a molecular weight of 388.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(oxamoylamino)-2-phenylacetate is sourced from PubChem (CID 86736018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).