2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

C21H24N2O5 — CID 119254206

IUPAC2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,20(26)27)14-8-10-15(11-9-14)22-18(24)16-6-3-4-12-23(16)19(25)17-7-5-13-28-17/h5,7-11,13,16H,3-4,6,12H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyRDENADHMMIKQEP-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 119254206) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID119254206
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,20(26)27)14-8-10-15(11-9-14)22-18(24)16-6-3-4-12-23(16)19(25)17-7-5-13-28-17/h5,7-11,13,16H,3-4,6,12H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyRDENADHMMIKQEP-UHFFFAOYSA-N
XLogP3.28
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119254003
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid (CID 119254206) is 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is RDENADHMMIKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-21(2,20(26)27)14-8-10-15(11-9-14)22-18(24)16-6-3-4-12-23(16)19(25)17-7-5-13-28-17/h5,7-11,13,16H,3-4,6,12H2,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 384.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119254206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).