methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate

C20H25NO3 — CID 21113

IUPACmethyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate
SMILESCCN(CC)CCOc1c(C(=O)OC)cccc1-c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)14-15-24-19-17(16-10-7-6-8-11-16)12-9-13-18(19)20(22)23-3/h6-13H,4-5,14-15H2,1-3H3
InChIKeySWAICQPNXIDPSY-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.86
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate

methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate (PubChem CID 21113) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate
PubChem CID21113
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Namemethyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate
SMILESCCN(CC)CCOc1c(C(=O)OC)cccc1-c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-21(5-2)14-15-24-19-17(16-10-7-6-8-11-16)12-9-13-18(19)20(22)23-3/h6-13H,4-5,14-15H2,1-3H3
InChIKeySWAICQPNXIDPSY-UHFFFAOYSA-N
XLogP3.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Flavoxate
CID 3354
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Methantheline
CID 4097
Flavoxate Hydrochloride
CID 441345
Etafenone
CID 3275
Xenysalate
CID 21720
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
4-Isopropylphenyl 2-methoxybenzoate
CID 723927
1-{2-[3-(Diethylamino)-2-hydroxypropoxy]phenyl}-3-phenylpropan-1-one
CID 2856987
2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
CID 55750
Edan
CID 10245201

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate?
The IUPAC name of methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate (CID 21113) is methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate is CCN(CC)CCOc1c(C(=O)OC)cccc1-c1ccccc1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate?
The InChIKey is SWAICQPNXIDPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-21(5-2)14-15-24-19-17(16-10-7-6-8-11-16)12-9-13-18(19)20(22)23-3/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate?
methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate has a molecular weight of 327.42 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate is sourced from PubChem (CID 21113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).