dimethylamino 2-(3-phenoxyphenyl)propanoate

C17H19NO3 — CID 174905214

IUPACdimethylamino 2-(3-phenoxyphenyl)propanoate
SMILESCC(C(=O)ON(C)C)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-13(17(19)21-18(2)3)14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKeyBFAQNGRQLLUSTQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.60
Rot. Bonds5

About dimethylamino 2-(3-phenoxyphenyl)propanoate

dimethylamino 2-(3-phenoxyphenyl)propanoate (PubChem CID 174905214) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is dimethylamino 2-(3-phenoxyphenyl)propanoate.

Molecular Properties

Compound Namedimethylamino 2-(3-phenoxyphenyl)propanoate
PubChem CID174905214
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namedimethylamino 2-(3-phenoxyphenyl)propanoate
SMILESCC(C(=O)ON(C)C)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-13(17(19)21-18(2)3)14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKeyBFAQNGRQLLUSTQ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
CID 129318698
S-[2-(dimethylamino)ethyl] 2-(3-phenoxyphenyl)propanethioate
CID 24993881
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
methyl 2-[3-(4-tritiophenoxy)phenyl]propanoate
CID 162424494
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
1-(3-phenoxyphenyl)ethanol
CID 12882419
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
pyrrolidin-2-ylmethyl 2-(3-phenoxyphenyl)propanoate;dihydrochloride
CID 176653789
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169

Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-(3-phenoxyphenyl)propanoate?
The IUPAC name of dimethylamino 2-(3-phenoxyphenyl)propanoate (CID 174905214) is dimethylamino 2-(3-phenoxyphenyl)propanoate.
What is the SMILES notation for dimethylamino 2-(3-phenoxyphenyl)propanoate?
The canonical SMILES for dimethylamino 2-(3-phenoxyphenyl)propanoate is CC(C(=O)ON(C)C)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of dimethylamino 2-(3-phenoxyphenyl)propanoate?
The InChIKey is BFAQNGRQLLUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(17(19)21-18(2)3)14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,1-3H3.
What are the key properties of dimethylamino 2-(3-phenoxyphenyl)propanoate?
dimethylamino 2-(3-phenoxyphenyl)propanoate has a molecular weight of 285.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-(3-phenoxyphenyl)propanoate is sourced from PubChem (CID 174905214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).