methyl 3-[(4-ethoxyphenyl)methylamino]benzoate

C17H19NO3 — CID 43217515

IUPACmethyl 3-[(4-ethoxyphenyl)methylamino]benzoate
SMILESCCOc1ccc(CNc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)12-18-15-6-4-5-14(11-15)17(19)20-2/h4-11,18H,3,12H2,1-2H3
InChIKeyYCYRMGASIVLHBO-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.48
Rot. Bonds6

About methyl 3-[(4-ethoxyphenyl)methylamino]benzoate

methyl 3-[(4-ethoxyphenyl)methylamino]benzoate (PubChem CID 43217515) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[(4-ethoxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxyphenyl)methylamino]benzoate
PubChem CID43217515
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-[(4-ethoxyphenyl)methylamino]benzoate
SMILESCCOc1ccc(CNc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)12-18-15-6-4-5-14(11-15)17(19)20-2/h4-11,18H,3,12H2,1-2H3
InChIKeyYCYRMGASIVLHBO-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
3-[[4-[(3-ethoxyanilino)methyl]phenyl]methylamino]benzoic acid
CID 166909603
methyl 3-[[3-(4-ethoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969510
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
CID 28545977
methyl 3-ethoxybenzoate
CID 3267781
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
tert-butyl 3-[(4-ethylphenyl)methylamino]benzoate
CID 70963157
methyl 3-(pyrimidin-5-ylmethylamino)benzoate
CID 62758580
methyl 3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685353
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxyphenyl)methylamino]benzoate?
The IUPAC name of methyl 3-[(4-ethoxyphenyl)methylamino]benzoate (CID 43217515) is methyl 3-[(4-ethoxyphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 3-[(4-ethoxyphenyl)methylamino]benzoate?
The canonical SMILES for methyl 3-[(4-ethoxyphenyl)methylamino]benzoate is CCOc1ccc(CNc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[(4-ethoxyphenyl)methylamino]benzoate?
The InChIKey is YCYRMGASIVLHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-16-9-7-13(8-10-16)12-18-15-6-4-5-14(11-15)17(19)20-2/h4-11,18H,3,12H2,1-2H3.
What are the key properties of methyl 3-[(4-ethoxyphenyl)methylamino]benzoate?
methyl 3-[(4-ethoxyphenyl)methylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43217515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).