phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate

C25H24N2O2 — CID 54371151

IUPACphenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate
SMILESCC(NC(Cc1ccccc1)c1c[nH]c2ccccc12)C(=O)Oc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(25(28)29-20-12-6-3-7-13-20)27-24(16-19-10-4-2-5-11-19)22-17-26-23-15-9-8-14-21(22)23/h2-15,17-18,24,26-27H,16H2,1H3
InChIKeyUTHRVGPCNSUMQO-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.04
Rot. Bonds7

About phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate

phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate (PubChem CID 54371151) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate.

Molecular Properties

Compound Namephenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate
PubChem CID54371151
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Namephenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate
SMILESCC(NC(Cc1ccccc1)c1c[nH]c2ccccc12)C(=O)Oc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(25(28)29-20-12-6-3-7-13-20)27-24(16-19-10-4-2-5-11-19)22-17-26-23-15-9-8-14-21(22)23/h2-15,17-18,24,26-27H,16H2,1H3
InChIKeyUTHRVGPCNSUMQO-UHFFFAOYSA-N
XLogP5.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
CID 54203578
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
CID 71745840
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
dibenzyl 2-acetamido-2-[1-(1H-indol-3-yl)ethyl]propanedioate
CID 134106953
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
CID 71065259
(2R)-2-amino-3-[4-[(2S)-2-amino-3-[4-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoyl]oxyphenyl]propanoic acid
CID 173311174
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate?
The IUPAC name of phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate (CID 54371151) is phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate.
What is the SMILES notation for phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate?
The canonical SMILES for phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate is CC(NC(Cc1ccccc1)c1c[nH]c2ccccc12)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate?
The InChIKey is UTHRVGPCNSUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(25(28)29-20-12-6-3-7-13-20)27-24(16-19-10-4-2-5-11-19)22-17-26-23-15-9-8-14-21(22)23/h2-15,17-18,24,26-27H,16H2,1H3.
What are the key properties of phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate?
phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate has a molecular weight of 384.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate is sourced from PubChem (CID 54371151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).