methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate

C16H17NO4 — CID 61305630

IUPACmethyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C16H17NO4/c1-19-12-5-3-11(4-6-12)10-21-13-7-8-15(17)14(9-13)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyALXWODAITBDLON-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate

methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate (PubChem CID 61305630) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
PubChem CID61305630
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C16H17NO4/c1-19-12-5-3-11(4-6-12)10-21-13-7-8-15(17)14(9-13)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyALXWODAITBDLON-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

methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate (CID 61305630) is methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate is COC(=O)c1cc(OCc2ccc(OC)cc2)ccc1N.
What is the InChIKey of methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate?
The InChIKey is ALXWODAITBDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-12-5-3-11(4-6-12)10-21-13-7-8-15(17)14(9-13)16(18)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate?
methyl 2-amino-5-[(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 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 61305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).