ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate

C27H27N3O4 — CID 46383560

IUPACethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-2-34-24(31)18-19-12-14-22(15-13-19)28-27(33)29-25(21-9-4-3-5-10-21)26(32)30-17-16-20-8-6-7-11-23(20)30/h3-15,25H,2,16-18H2,1H3,(H2,28,29,33)
InChIKeyQANYQVPBDSQNOO-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate

ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate (PubChem CID 46383560) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
PubChem CID46383560
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Nameethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-2-34-24(31)18-19-12-14-22(15-13-19)28-27(33)29-25(21-9-4-3-5-10-21)26(32)30-17-16-20-8-6-7-11-23(20)30/h3-15,25H,2,16-18H2,1H3,(H2,28,29,33)
InChIKeyQANYQVPBDSQNOO-UHFFFAOYSA-N
XLogP4.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate (CID 46383560) is ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)NC(C(=O)N2CCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The InChIKey is QANYQVPBDSQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-2-34-24(31)18-19-12-14-22(15-13-19)28-27(33)29-25(21-9-4-3-5-10-21)26(32)30-17-16-20-8-6-7-11-23(20)30/h3-15,25H,2,16-18H2,1H3,(H2,28,29,33).
What are the key properties of ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate has a molecular weight of 457.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate is sourced from PubChem (CID 46383560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).