[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate

C25H25NO4 — CID 67561994

IUPAC[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
SMILESO=C(CCOC(=O)COc1ccccc1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-24(16-17-29-25(28)19-30-22-14-8-3-9-15-22)26-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,26,27)
InChIKeyKDJKSAKBSBMXHQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.10
Rot. Bonds10

About [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate

[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate (PubChem CID 67561994) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
PubChem CID67561994
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
SMILESO=C(CCOC(=O)COc1ccccc1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-24(16-17-29-25(28)19-30-22-14-8-3-9-15-22)26-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,26,27)
InChIKeyKDJKSAKBSBMXHQ-UHFFFAOYSA-N
XLogP4.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
CID 114300023
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
1,2-diphenylethylurea
CID 2853470
3-(2-amino-2-oxoethoxy)-N-(1,2-diphenylethyl)benzamide
CID 134048589
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate?
The IUPAC name of [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate (CID 67561994) is [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate.
What is the SMILES notation for [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate?
The canonical SMILES for [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate is O=C(CCOC(=O)COc1ccccc1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate?
The InChIKey is KDJKSAKBSBMXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c27-24(16-17-29-25(28)19-30-22-14-8-3-9-15-22)26-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,26,27).
What are the key properties of [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate?
[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate has a molecular weight of 403.48 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate is sourced from PubChem (CID 67561994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).