2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid

C23H22N2O7 — CID 1374341

IUPAC2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
SMILESCCOc1cc(NC(=O)c2ccccc2C(=O)O)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H22N2O7/c1-3-30-19-13-17(25-22(27)18-10-7-11-32-18)20(31-4-2)12-16(19)24-21(26)14-8-5-6-9-15(14)23(28)29/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyOCSCAJBOTIPMMC-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.28
Rot. Bonds9

About 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid

2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid (PubChem CID 1374341) has the molecular formula C23H22N2O7 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
PubChem CID1374341
Molecular FormulaC23H22N2O7
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Name2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
SMILESCCOc1cc(NC(=O)c2ccccc2C(=O)O)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H22N2O7/c1-3-30-19-13-17(25-22(27)18-10-7-11-32-18)20(31-4-2)12-16(19)24-21(26)14-8-5-6-9-15(14)23(28)29/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyOCSCAJBOTIPMMC-UHFFFAOYSA-N
XLogP4.28
TPSA127.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
CID 1138763
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid (CID 1374341) is 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid is CCOc1cc(NC(=O)c2ccccc2C(=O)O)c(OCC)cc1NC(=O)c1ccco1.
What is the InChIKey of 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
The InChIKey is OCSCAJBOTIPMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7/c1-3-30-19-13-17(25-22(27)18-10-7-11-32-18)20(31-4-2)12-16(19)24-21(26)14-8-5-6-9-15(14)23(28)29/h5-13H,3-4H2,1-2H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid?
2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid has a molecular weight of 438.44 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1374341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).