[3-[2-(dimethylamino)phenoxy]phenyl] propanoate

C17H19NO3 — CID 19421801

IUPAC[3-[2-(dimethylamino)phenoxy]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(Oc2ccccc2N(C)C)c1
InChIInChI=1S/C17H19NO3/c1-4-17(19)21-14-9-7-8-13(12-14)20-16-11-6-5-10-15(16)18(2)3/h5-12H,4H2,1-3H3
InChIKeyCYQGDSOLSBGKKF-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.86
Rot. Bonds5

About [3-[2-(dimethylamino)phenoxy]phenyl] propanoate

[3-[2-(dimethylamino)phenoxy]phenyl] propanoate (PubChem CID 19421801) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [3-[2-(dimethylamino)phenoxy]phenyl] propanoate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)phenoxy]phenyl] propanoate
PubChem CID19421801
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[3-[2-(dimethylamino)phenoxy]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(Oc2ccccc2N(C)C)c1
InChIInChI=1S/C17H19NO3/c1-4-17(19)21-14-9-7-8-13(12-14)20-16-11-6-5-10-15(16)18(2)3/h5-12H,4H2,1-3H3
InChIKeyCYQGDSOLSBGKKF-UHFFFAOYSA-N
XLogP3.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl propanoate
CID 161258381
CID 161494205
CID 161494205
(3-phosphonooxyphenyl) propanoate
CID 174701500
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
[3-(aminomethyl)phenyl] propanoate
CID 174426533
[3-[2-(dimethylamino)ethyl]-2-phenoxyphenyl] propanoate
CID 174774680
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
(3-phenoxy-4-pyridinyl) propanoate
CID 19755132
acetamide;phenyl propanoate
CID 175120271
[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184
phenyl butanoate;phenyl propanoate
CID 139490117
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)phenoxy]phenyl] propanoate?
The IUPAC name of [3-[2-(dimethylamino)phenoxy]phenyl] propanoate (CID 19421801) is [3-[2-(dimethylamino)phenoxy]phenyl] propanoate.
What is the SMILES notation for [3-[2-(dimethylamino)phenoxy]phenyl] propanoate?
The canonical SMILES for [3-[2-(dimethylamino)phenoxy]phenyl] propanoate is CCC(=O)Oc1cccc(Oc2ccccc2N(C)C)c1.
What is the InChIKey of [3-[2-(dimethylamino)phenoxy]phenyl] propanoate?
The InChIKey is CYQGDSOLSBGKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-17(19)21-14-9-7-8-13(12-14)20-16-11-6-5-10-15(16)18(2)3/h5-12H,4H2,1-3H3.
What are the key properties of [3-[2-(dimethylamino)phenoxy]phenyl] propanoate?
[3-[2-(dimethylamino)phenoxy]phenyl] propanoate has a molecular weight of 285.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)phenoxy]phenyl] propanoate is sourced from PubChem (CID 19421801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).