methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate

C16H17NO4 — CID 43380178

IUPACmethyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO4/c1-19-13-6-3-11(4-7-13)10-21-15-9-12(16(18)20-2)5-8-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyDJQULPSVVJDTRY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.64
Rot. Bonds5

About methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate

methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate (PubChem CID 43380178) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
PubChem CID43380178
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO4/c1-19-13-6-3-11(4-7-13)10-21-15-9-12(16(18)20-2)5-8-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyDJQULPSVVJDTRY-UHFFFAOYSA-N
XLogP2.64
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
methyl 4-amino-3-[(4-chloro-3-fluorophenyl)methoxy]benzoate
CID 107882843
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
methyl 4-amino-3-[(2-bromo-5-methoxycarbonylphenyl)methoxy]benzoate
CID 139932775
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate (CID 43380178) is methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate is COC(=O)c1ccc(N)c(OCc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate?
The InChIKey is DJQULPSVVJDTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-6-3-11(4-7-13)10-21-15-9-12(16(18)20-2)5-8-14(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate?
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 43380178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).