N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

C23H18N2O6 — CID 46421125

IUPACN-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H18N2O6/c26-21(14-30-16-9-7-15-8-10-22(27)31-20(15)12-16)25-19-6-2-1-5-18(19)23(28)24-13-17-4-3-11-29-17/h1-12H,13-14H2,(H,24,28)(H,25,26)
InChIKeyKAWPTSJDBDGRMC-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (PubChem CID 46421125) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
PubChem CID46421125
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H18N2O6/c26-21(14-30-16-9-7-15-8-10-22(27)31-20(15)12-16)25-19-6-2-1-5-18(19)23(28)24-13-17-4-3-11-29-17/h1-12H,13-14H2,(H,24,28)(H,25,26)
InChIKeyKAWPTSJDBDGRMC-UHFFFAOYSA-N
XLogP3.33
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 56573237
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55399528
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9319749
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (CID 46421125) is N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is KAWPTSJDBDGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c26-21(14-30-16-9-7-15-8-10-22(27)31-20(15)12-16)25-19-6-2-1-5-18(19)23(28)24-13-17-4-3-11-29-17/h1-12H,13-14H2,(H,24,28)(H,25,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 418.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 46421125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).