5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C25H26N2O3 — CID 42907270

IUPAC5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccccc3)N3CCCC3)o2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(28)19-9-11-21(12-10-19)23-13-14-24(30-23)25(29)26-17-22(27-15-5-6-16-27)20-7-3-2-4-8-20/h2-4,7-14,22H,5-6,15-17H2,1H3,(H,26,29)
InChIKeyZQRRNRGAMZBZMU-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.72
Rot. Bonds7

About 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 42907270) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID42907270
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccccc3)N3CCCC3)o2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(28)19-9-11-21(12-10-19)23-13-14-24(30-23)25(29)26-17-22(27-15-5-6-16-27)20-7-3-2-4-8-20/h2-4,7-14,22H,5-6,15-17H2,1H3,(H,26,29)
InChIKeyZQRRNRGAMZBZMU-UHFFFAOYSA-N
XLogP4.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 18119096
5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 39959418
5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 35341949
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 42907270) is 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCC(c3ccccc3)N3CCCC3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is ZQRRNRGAMZBZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(28)19-9-11-21(12-10-19)23-13-14-24(30-23)25(29)26-17-22(27-15-5-6-16-27)20-7-3-2-4-8-20/h2-4,7-14,22H,5-6,15-17H2,1H3,(H,26,29).
What are the key properties of 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42907270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).