4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide

C25H28N2O — CID 142280088

IUPAC4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-18(19-12-14-21(15-13-19)20-8-4-2-5-9-20)27-25(28)24-17-26-16-23(24)22-10-6-3-7-11-22/h2-11,16-19,21,26H,12-15H2,1H3,(H,27,28)/t18-,19?,21?/m0/s1
InChIKeyIVHZQBJUBZTUBF-JSOIOWGOSA-N
MW372.51 g/mol
LogP5.77
Rot. Bonds5

About 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide

4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 142280088) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID142280088
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-18(19-12-14-21(15-13-19)20-8-4-2-5-9-20)27-25(28)24-17-26-16-23(24)22-10-6-3-7-11-22/h2-11,16-19,21,26H,12-15H2,1H3,(H,27,28)/t18-,19?,21?/m0/s1
InChIKeyIVHZQBJUBZTUBF-JSOIOWGOSA-N
XLogP5.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide (CID 142280088) is 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide is C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is IVHZQBJUBZTUBF-JSOIOWGOSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18(19-12-14-21(15-13-19)20-8-4-2-5-9-20)27-25(28)24-17-26-16-23(24)22-10-6-3-7-11-22/h2-11,16-19,21,26H,12-15H2,1H3,(H,27,28)/t18-,19?,21?/m0/s1.
What are the key properties of 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide?
4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1S)-1-(4-phenylcyclohexyl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).