N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide

C17H22N2O — CID 5309925

IUPACN-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCCC(C)NC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C17H22N2O/c1-3-14(2)18-17(20)16(19-11-7-8-12-19)13-15-9-5-4-6-10-15/h4-12,14,16H,3,13H2,1-2H3,(H,18,20)
InChIKeyFRHVGHXILMDDQF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds6

About N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide

N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 5309925) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID5309925
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCCC(C)NC(=O)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C17H22N2O/c1-3-14(2)18-17(20)16(19-11-7-8-12-19)13-15-9-5-4-6-10-15/h4-12,14,16H,3,13H2,1-2H3,(H,18,20)
InChIKeyFRHVGHXILMDDQF-UHFFFAOYSA-N
XLogP3.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide (CID 5309925) is N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide is CCC(C)NC(=O)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is FRHVGHXILMDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-14(2)18-17(20)16(19-11-7-8-12-19)13-15-9-5-4-6-10-15/h4-12,14,16H,3,13H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide?
N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 270.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 5309925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).