methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate

C15H21NO3 — CID 167283570

IUPACmethyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate
SMILESCCN(CCc1ccc(C(=O)OC)cc1)C1COC1
InChIInChI=1S/C15H21NO3/c1-3-16(14-10-19-11-14)9-8-12-4-6-13(7-5-12)15(17)18-2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHJQVWIKNCHZIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds6

About methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate

methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate (PubChem CID 167283570) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate
PubChem CID167283570
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate
SMILESCCN(CCc1ccc(C(=O)OC)cc1)C1COC1
InChIInChI=1S/C15H21NO3/c1-3-16(14-10-19-11-14)9-8-12-4-6-13(7-5-12)15(17)18-2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyKHJQVWIKNCHZIC-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
CID 167283875
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
CID 134382420
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277
2-[cyclopropyl-[3-(4-methoxycarbonylphenyl)propanoyl]amino]propanoic acid
CID 122067383

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate (CID 167283570) is methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate is CCN(CCc1ccc(C(=O)OC)cc1)C1COC1.
What is the InChIKey of methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate?
The InChIKey is KHJQVWIKNCHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(14-10-19-11-14)9-8-12-4-6-13(7-5-12)15(17)18-2/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate?
methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate is sourced from PubChem (CID 167283570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).