[3-[(2,2-diphenylacetyl)amino]phenyl] acetate

C22H19NO3 — CID 1252597

IUPAC[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-16(24)26-20-14-8-13-19(15-20)23-22(25)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H,23,25)
InChIKeyNKNNHVIWLRIARB-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.38
Rot. Bonds5

About [3-[(2,2-diphenylacetyl)amino]phenyl] acetate

[3-[(2,2-diphenylacetyl)amino]phenyl] acetate (PubChem CID 1252597) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-[(2,2-diphenylacetyl)amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
PubChem CID1252597
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-16(24)26-20-14-8-13-19(15-20)23-22(25)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H,23,25)
InChIKeyNKNNHVIWLRIARB-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
[3-[(2-bromophenyl)carbamoylamino]phenyl] acetate
CID 108865321
2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-diphenylacetyl)amino]phenyl] acetate?
The IUPAC name of [3-[(2,2-diphenylacetyl)amino]phenyl] acetate (CID 1252597) is [3-[(2,2-diphenylacetyl)amino]phenyl] acetate.
What is the SMILES notation for [3-[(2,2-diphenylacetyl)amino]phenyl] acetate?
The canonical SMILES for [3-[(2,2-diphenylacetyl)amino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[(2,2-diphenylacetyl)amino]phenyl] acetate?
The InChIKey is NKNNHVIWLRIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16(24)26-20-14-8-13-19(15-20)23-22(25)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H,23,25).
What are the key properties of [3-[(2,2-diphenylacetyl)amino]phenyl] acetate?
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate has a molecular weight of 345.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-diphenylacetyl)amino]phenyl] acetate is sourced from PubChem (CID 1252597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).