3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide

C21H22N2O — CID 6622999

IUPAC3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide
SMILESCC(NC(=O)C(Cc1ccccc1)n1cccc1)c1ccccc1
InChIInChI=1S/C21H22N2O/c1-17(19-12-6-3-7-13-19)22-21(24)20(23-14-8-9-15-23)16-18-10-4-2-5-11-18/h2-15,17,20H,16H2,1H3,(H,22,24)
InChIKeyCWQPPKYYMIYHLR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.15
Rot. Bonds6

About 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide

3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide (PubChem CID 6622999) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide
PubChem CID6622999
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide
SMILESCC(NC(=O)C(Cc1ccccc1)n1cccc1)c1ccccc1
InChIInChI=1S/C21H22N2O/c1-17(19-12-6-3-7-13-19)22-21(24)20(23-14-8-9-15-23)16-18-10-4-2-5-11-18/h2-15,17,20H,16H2,1H3,(H,22,24)
InChIKeyCWQPPKYYMIYHLR-UHFFFAOYSA-N
XLogP4.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide?
The IUPAC name of 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide (CID 6622999) is 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide is CC(NC(=O)C(Cc1ccccc1)n1cccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide?
The InChIKey is CWQPPKYYMIYHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-17(19-12-6-3-7-13-19)22-21(24)20(23-14-8-9-15-23)16-18-10-4-2-5-11-18/h2-15,17,20H,16H2,1H3,(H,22,24).
What are the key properties of 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide?
3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-phenylethyl)-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6622999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).