ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate

C27H23NO4 — CID 131735213

IUPACethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)cc3ccccc23)c1
InChIInChI=1S/C27H23NO4/c1-2-31-26(29)18-32-23-13-8-12-22(17-23)28-27(30)25-16-21(19-9-4-3-5-10-19)15-20-11-6-7-14-24(20)25/h3-17H,2,18H2,1H3,(H,28,30)
InChIKeyVFZDRAOXPKXAPH-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.70
Rot. Bonds7

About ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate

ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate (PubChem CID 131735213) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
PubChem CID131735213
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Nameethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)cc3ccccc23)c1
InChIInChI=1S/C27H23NO4/c1-2-31-26(29)18-32-23-13-8-12-22(17-23)28-27(30)25-16-21(19-9-4-3-5-10-19)15-20-11-6-7-14-24(20)25/h3-17H,2,18H2,1H3,(H,28,30)
InChIKeyVFZDRAOXPKXAPH-UHFFFAOYSA-N
XLogP5.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
ethyl 3,5-dimethyl-4-[(3-phenylnaphthalene-1-carbonyl)amino]benzoate
CID 122506998
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
ethyl 2-[3-[(4-chloro-2-nitrobenzoyl)amino]phenoxy]acetate
CID 46401688
ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
CID 46424384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate (CID 131735213) is ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2cc(-c3ccccc3)cc3ccccc23)c1.
What is the InChIKey of ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate?
The InChIKey is VFZDRAOXPKXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-2-31-26(29)18-32-23-13-8-12-22(17-23)28-27(30)25-16-21(19-9-4-3-5-10-19)15-20-11-6-7-14-24(20)25/h3-17H,2,18H2,1H3,(H,28,30).
What are the key properties of ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate?
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate has a molecular weight of 425.48 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 131735213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).