benzyl 2-[(3-phenoxybenzoyl)amino]acetate

C22H19NO4 — CID 7980431

IUPACbenzyl 2-[(3-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Oc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C22H19NO4/c24-21(26-16-17-8-3-1-4-9-17)15-23-22(25)18-10-7-13-20(14-18)27-19-11-5-2-6-12-19/h1-14H,15-16H2,(H,23,25)
InChIKeyICQPGHMOUZZFEZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.95
Rot. Bonds7

About benzyl 2-[(3-phenoxybenzoyl)amino]acetate

benzyl 2-[(3-phenoxybenzoyl)amino]acetate (PubChem CID 7980431) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is benzyl 2-[(3-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3-phenoxybenzoyl)amino]acetate
PubChem CID7980431
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namebenzyl 2-[(3-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Oc2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C22H19NO4/c24-21(26-16-17-8-3-1-4-9-17)15-23-22(25)18-10-7-13-20(14-18)27-19-11-5-2-6-12-19/h1-14H,15-16H2,(H,23,25)
InChIKeyICQPGHMOUZZFEZ-UHFFFAOYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 42970121
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-phenoxybenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(3-phenoxybenzoyl)amino]acetate (CID 7980431) is benzyl 2-[(3-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3-phenoxybenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Oc2ccccc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(3-phenoxybenzoyl)amino]acetate?
The InChIKey is ICQPGHMOUZZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-21(26-16-17-8-3-1-4-9-17)15-23-22(25)18-10-7-13-20(14-18)27-19-11-5-2-6-12-19/h1-14H,15-16H2,(H,23,25).
What are the key properties of benzyl 2-[(3-phenoxybenzoyl)amino]acetate?
benzyl 2-[(3-phenoxybenzoyl)amino]acetate has a molecular weight of 361.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 7980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).