methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate

C26H24N2O4 — CID 155548376

IUPACmethyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C(Cc2ccccc2)NC(=O)OCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O4/c1-31-25(29)23-20-14-8-9-15-21(20)27-24(23)22(16-18-10-4-2-5-11-18)28-26(30)32-17-19-12-6-3-7-13-19/h2-15,22,27H,16-17H2,1H3,(H,28,30)
InChIKeyNRHZSLPGMFVLFY-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.16
Rot. Bonds7

About methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate

methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate (PubChem CID 155548376) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate
PubChem CID155548376
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Namemethyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C(Cc2ccccc2)NC(=O)OCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O4/c1-31-25(29)23-20-14-8-9-15-21(20)27-24(23)22(16-18-10-4-2-5-11-18)28-26(30)32-17-19-12-6-3-7-13-19/h2-15,22,27H,16-17H2,1H3,(H,28,30)
InChIKeyNRHZSLPGMFVLFY-UHFFFAOYSA-N
XLogP5.16
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate (CID 155548376) is methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate is COC(=O)c1c(C(Cc2ccccc2)NC(=O)OCc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate?
The InChIKey is NRHZSLPGMFVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-31-25(29)23-20-14-8-9-15-21(20)27-24(23)22(16-18-10-4-2-5-11-18)28-26(30)32-17-19-12-6-3-7-13-19/h2-15,22,27H,16-17H2,1H3,(H,28,30).
What are the key properties of methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate?
methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1H-indole-3-carboxylate is sourced from PubChem (CID 155548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).