2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid

C23H20N2O7 — CID 67333637

IUPAC2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(-c2ccc(NC(=O)c3ccco3)cc2)cc1)C(=O)O
InChIInChI=1S/C23H20N2O7/c26-20(27)12-11-18(23(30)31)25-21(28)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-22(29)19-2-1-13-32-19/h1-10,13,18H,11-12H2,(H,24,29)(H,25,28)(H,26,27)(H,30,31)
InChIKeyMZZDQXYPSSCINI-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.25
Rot. Bonds9

About 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid

2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid (PubChem CID 67333637) has the molecular formula C23H20N2O7 and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid
PubChem CID67333637
Molecular FormulaC23H20N2O7
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc(-c2ccc(NC(=O)c3ccco3)cc2)cc1)C(=O)O
InChIInChI=1S/C23H20N2O7/c26-20(27)12-11-18(23(30)31)25-21(28)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-22(29)19-2-1-13-32-19/h1-10,13,18H,11-12H2,(H,24,29)(H,25,28)(H,26,27)(H,30,31)
InChIKeyMZZDQXYPSSCINI-UHFFFAOYSA-N
XLogP3.25
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
(2S)-2-[[4-[4-(N-benzoylanilino)phenyl]benzoyl]amino]pentanedioic acid
CID 69149554
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
[(2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937893
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid (CID 67333637) is 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)c1ccc(-c2ccc(NC(=O)c3ccco3)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid?
The InChIKey is MZZDQXYPSSCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7/c26-20(27)12-11-18(23(30)31)25-21(28)16-5-3-14(4-6-16)15-7-9-17(10-8-15)24-22(29)19-2-1-13-32-19/h1-10,13,18H,11-12H2,(H,24,29)(H,25,28)(H,26,27)(H,30,31).
What are the key properties of 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid?
2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid has a molecular weight of 436.42 g/mol, XLogP of 3.25, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(furan-2-carbonylamino)phenyl]benzoyl]amino]pentanedioic acid is sourced from PubChem (CID 67333637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).