butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate

C21H24N2O5 — CID 24658807

IUPACbutyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O5/c1-2-3-13-28-21(26)15-8-10-16(11-9-15)22-19(24)17-6-4-12-23(17)20(25)18-7-5-14-27-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3,(H,22,24)
InChIKeyVKUPWINHZZPFGX-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.48
Rot. Bonds7

About butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate

butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate (PubChem CID 24658807) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
PubChem CID24658807
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namebutyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O5/c1-2-3-13-28-21(26)15-8-10-16(11-9-15)22-19(24)17-6-4-12-23(17)20(25)18-7-5-14-27-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3,(H,22,24)
InChIKeyVKUPWINHZZPFGX-UHFFFAOYSA-N
XLogP3.48
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate (CID 24658807) is butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)C2CCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate?
The InChIKey is VKUPWINHZZPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-2-3-13-28-21(26)15-8-10-16(11-9-15)22-19(24)17-6-4-12-23(17)20(25)18-7-5-14-27-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3,(H,22,24).
What are the key properties of butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate?
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 24658807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).