[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate

C25H24N2O4 — CID 108929114

IUPAC[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C25H24N2O4/c1-18(28)31-23-12-6-10-21(16-23)25(30)26-17-20-9-5-11-22(15-20)27-24(29)14-13-19-7-3-2-4-8-19/h2-12,15-16H,13-14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyGKCDPWPFEXNKRH-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.11
Rot. Bonds8

About [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate

[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate (PubChem CID 108929114) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
PubChem CID108929114
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C25H24N2O4/c1-18(28)31-23-12-6-10-21(16-23)25(30)26-17-20-9-5-11-22(15-20)27-24(29)14-13-19-7-3-2-4-8-19/h2-12,15-16H,13-14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyGKCDPWPFEXNKRH-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate 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

[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929200
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044
[3-[[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108918282
[3-[[3-[[(4-chlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928977
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
[3-[[3-[[2-(1-adamantyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928998
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate (CID 108929114) is [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate?
The InChIKey is GKCDPWPFEXNKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18(28)31-23-12-6-10-21(16-23)25(30)26-17-20-9-5-11-22(15-20)27-24(29)14-13-19-7-3-2-4-8-19/h2-12,15-16H,13-14,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate?
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate has a molecular weight of 416.48 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108929114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).