N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C33H32N2O2 — CID 91819664

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C33H32N2O2/c1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4/h5-20,23H,21H2,1-4H3,(H,34,36)/t23-/m1/s1
InChIKeyPRULFENHLQUAKX-HSZRJFAPSA-N
MW488.63 g/mol
LogP7.47
Rot. Bonds7

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 91819664) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
PubChem CID91819664
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C33H32N2O2/c1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4/h5-20,23H,21H2,1-4H3,(H,34,36)/t23-/m1/s1
InChIKeyPRULFENHLQUAKX-HSZRJFAPSA-N
XLogP7.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 91819664) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The InChIKey is PRULFENHLQUAKX-HSZRJFAPSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4/h5-20,23H,21H2,1-4H3,(H,34,36)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 7.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 91819664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).