[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate

C17H17NO3 — CID 10401562

IUPAC[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate
SMILESCNCC(=O)c1cccc(OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-18-12-16(19)14-8-5-9-15(11-14)21-17(20)10-13-6-3-2-4-7-13/h2-9,11,18H,10,12H2,1H3
InChIKeyBCYFKZNVZISBSF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds6

About [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate

[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate (PubChem CID 10401562) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate
PubChem CID10401562
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate
SMILESCNCC(=O)c1cccc(OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-18-12-16(19)14-8-5-9-15(11-14)21-17(20)10-13-6-3-2-4-7-13/h2-9,11,18H,10,12H2,1H3
InChIKeyBCYFKZNVZISBSF-UHFFFAOYSA-N
XLogP2.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
phenyl 2-phenylacetate;zinc
CID 70522084
1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
[3-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-phenylacetate
CID 39114997
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
1-[3-(2-fluoroethyl)phenyl]-2-(methylamino)ethanone
CID 117285297
3-[3-(benzylamino)-3-oxopropanoyl]oxybenzoic acid
CID 46229593
3-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854768
3-(3-oxobutanoyloxy)benzoic acid
CID 71330427
butanoic acid;phenyl 2-phenylacetate
CID 68544995
phenyl 2-(3-fluorophenyl)acetate
CID 121272908

Frequently Asked Questions

What is the IUPAC name of [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate?
The IUPAC name of [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate (CID 10401562) is [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate.
What is the SMILES notation for [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate?
The canonical SMILES for [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate is CNCC(=O)c1cccc(OC(=O)Cc2ccccc2)c1.
What is the InChIKey of [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate?
The InChIKey is BCYFKZNVZISBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-12-16(19)14-8-5-9-15(11-14)21-17(20)10-13-6-3-2-4-7-13/h2-9,11,18H,10,12H2,1H3.
What are the key properties of [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate?
[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate has a molecular weight of 283.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate is sourced from PubChem (CID 10401562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).