phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate

C26H23N3O3 — CID 175180665

IUPACphenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESO=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C26H23N3O3/c30-25(27-15-14-19-17-28-22-12-6-5-11-21(19)22)24-16-18-8-4-7-13-23(18)29(24)26(31)32-20-9-2-1-3-10-20/h1-13,17,24,28H,14-16H2,(H,27,30)
InChIKeyRBGPGJBRIQUZJT-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.46
Rot. Bonds5

About phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate

phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 175180665) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID175180665
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Namephenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESO=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2N1C(=O)Oc1ccccc1
InChIInChI=1S/C26H23N3O3/c30-25(27-15-14-19-17-28-22-12-6-5-11-21(19)22)24-16-18-8-4-7-13-23(18)29(24)26(31)32-20-9-2-1-3-10-20/h1-13,17,24,28H,14-16H2,(H,27,30)
InChIKeyRBGPGJBRIQUZJT-UHFFFAOYSA-N
XLogP4.46
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
2-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4802473
(3R)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41063066
(2S)-1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710601
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
2-ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 131910708
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate (CID 175180665) is phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate is O=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is RBGPGJBRIQUZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(27-15-14-19-17-28-22-12-6-5-11-21(19)22)24-16-18-8-4-7-13-23(18)29(24)26(31)32-20-9-2-1-3-10-20/h1-13,17,24,28H,14-16H2,(H,27,30).
What are the key properties of phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate?
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 175180665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).