ethyl 2-(4-phenylmethoxyanilino)acetate

C17H19NO3 — CID 3652798

IUPACethyl 2-(4-phenylmethoxyanilino)acetate
SMILESCCOC(=O)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)12-18-15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeySXBRYBUOFKTAFF-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds7

About ethyl 2-(4-phenylmethoxyanilino)acetate

ethyl 2-(4-phenylmethoxyanilino)acetate (PubChem CID 3652798) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-(4-phenylmethoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylmethoxyanilino)acetate
PubChem CID3652798
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-(4-phenylmethoxyanilino)acetate
SMILESCCOC(=O)CNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)12-18-15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeySXBRYBUOFKTAFF-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylmethoxyanilino)acetate?
The IUPAC name of ethyl 2-(4-phenylmethoxyanilino)acetate (CID 3652798) is ethyl 2-(4-phenylmethoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(4-phenylmethoxyanilino)acetate?
The canonical SMILES for ethyl 2-(4-phenylmethoxyanilino)acetate is CCOC(=O)CNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenylmethoxyanilino)acetate?
The InChIKey is SXBRYBUOFKTAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)12-18-15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(4-phenylmethoxyanilino)acetate?
ethyl 2-(4-phenylmethoxyanilino)acetate has a molecular weight of 285.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylmethoxyanilino)acetate is sourced from PubChem (CID 3652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).