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

C27H27N3O4 — CID 92881627

IUPACethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N[C@H](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)/t25-/m0/s1
InChIKeyQANYQVPBDSQNOO-VWLOTQADSA-N
MW457.53 g/mol
LogP4.24
Rot. Bonds7

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

ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate (PubChem CID 92881627) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
PubChem CID92881627
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Nameethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N[C@H](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)/t25-/m0/s1
InChIKeyQANYQVPBDSQNOO-VWLOTQADSA-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-[[(1S)-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

Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethylphenyl)urea
CID 46383540
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
1-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2,5-dimethylphenyl)urea
CID 92881589
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(2-phenylethyl)urea
CID 46383573
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
1-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3-methoxypropyl)urea
CID 92881634
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
1-(5-chloro-2-methoxyphenyl)-3-[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881593
ethyl 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamoylamino]acetate
CID 92881497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate (CID 92881627) is ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
The InChIKey is QANYQVPBDSQNOO-VWLOTQADSA-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)/t25-/m0/s1.
What are the key properties of ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate?
ethyl 2-[4-[[(1S)-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-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate is sourced from PubChem (CID 92881627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).