(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate

C18H19NO3 — CID 110670571

IUPAC(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
SMILESCc1ccc(OC(=O)CNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-14-7-10-16(11-8-14)22-18(21)13-19-17(20)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,20)
InChIKeyGYLNOZVVDBJIBZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.65
Rot. Bonds6

About (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate

(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate (PubChem CID 110670571) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
PubChem CID110670571
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
SMILESCc1ccc(OC(=O)CNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-14-7-10-16(11-8-14)22-18(21)13-19-17(20)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,20)
InChIKeyGYLNOZVVDBJIBZ-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
(4-methylphenyl) 5-(benzylamino)-5-oxopentanoate
CID 134872347
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
CID 174646519
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate?
The IUPAC name of (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate (CID 110670571) is (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate?
The canonical SMILES for (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate is Cc1ccc(OC(=O)CNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate?
The InChIKey is GYLNOZVVDBJIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14-7-10-16(11-8-14)22-18(21)13-19-17(20)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,20).
What are the key properties of (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate?
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate has a molecular weight of 297.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(3-phenylpropanoylamino)acetate is sourced from PubChem (CID 110670571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).