[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate

C23H23NO3 — CID 87890217

IUPAC[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
SMILESO=C(Cc1ccccc1)ONCc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H23NO3/c25-23(17-20-11-5-2-6-12-20)27-24-18-21-13-7-8-14-22(21)26-16-15-19-9-3-1-4-10-19/h1-14,24H,15-18H2
InChIKeyCZEVJVRMQXEUQB-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.10
Rot. Bonds9

About [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate

[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate (PubChem CID 87890217) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate.

Molecular Properties

Compound Name[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
PubChem CID87890217
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
SMILESO=C(Cc1ccccc1)ONCc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H23NO3/c25-23(17-20-11-5-2-6-12-20)27-24-18-21-13-7-8-14-22(21)26-16-15-19-9-3-1-4-10-19/h1-14,24H,15-18H2
InChIKeyCZEVJVRMQXEUQB-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;(benzylamino) 2-phenylacetate
CID 174695749
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401

Frequently Asked Questions

What is the IUPAC name of [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate?
The IUPAC name of [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate (CID 87890217) is [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate.
What is the SMILES notation for [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate?
The canonical SMILES for [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate is O=C(Cc1ccccc1)ONCc1ccccc1OCCc1ccccc1.
What is the InChIKey of [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate?
The InChIKey is CZEVJVRMQXEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-23(17-20-11-5-2-6-12-20)27-24-18-21-13-7-8-14-22(21)26-16-15-19-9-3-1-4-10-19/h1-14,24H,15-18H2.
What are the key properties of [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate?
[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate has a molecular weight of 361.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate is sourced from PubChem (CID 87890217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).