[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C24H28N2O5 — CID 9348238

IUPAC[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCCCCC1
InChIInChI=1S/C24H28N2O5/c27-22(26-15-7-2-1-3-8-16-26)18-30-23(28)17-25-24(29)19-11-13-21(14-12-19)31-20-9-5-4-6-10-20/h4-6,9-14H,1-3,7-8,15-18H2,(H,25,29)
InChIKeyDAPCFWOUGNTHGU-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.54
Rot. Bonds7

About [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 9348238) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID9348238
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCCCCC1
InChIInChI=1S/C24H28N2O5/c27-22(26-15-7-2-1-3-8-16-26)18-30-23(28)17-25-24(29)19-11-13-21(14-12-19)31-20-9-5-4-6-10-20/h4-6,9-14H,1-3,7-8,15-18H2,(H,25,29)
InChIKeyDAPCFWOUGNTHGU-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
(2-oxo-2-piperidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654052
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653981
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 9348238) is [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCCCCC1.
What is the InChIKey of [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is DAPCFWOUGNTHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-22(26-15-7-2-1-3-8-16-26)18-30-23(28)17-25-24(29)19-11-13-21(14-12-19)31-20-9-5-4-6-10-20/h4-6,9-14H,1-3,7-8,15-18H2,(H,25,29).
What are the key properties of [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 9348238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).