N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide

C20H20N2O3 — CID 91929661

IUPACN-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-13,15,23-24H,2H2,1H3,(H,21,25)
InChIKeyRRXQHNBIUGLMGG-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide

N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide (PubChem CID 91929661) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide
PubChem CID91929661
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-13,15,23-24H,2H2,1H3,(H,21,25)
InChIKeyRRXQHNBIUGLMGG-UHFFFAOYSA-N
XLogP4.02
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide (CID 91929661) is N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccccc1-n1c(O)ccc1O)c1ccccc1.
What is the InChIKey of N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide?
The InChIKey is RRXQHNBIUGLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-13,15,23-24H,2H2,1H3,(H,21,25).
What are the key properties of N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide?
N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide has a molecular weight of 336.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydroxypyrrol-1-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 91929661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).