N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C23H23N3O5 — CID 9438050

IUPACN-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O5/c1-30-20-12-6-5-11-19(20)25-21(27)16-26(15-18-10-7-13-31-18)22(28)14-24-23(29)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyBLDMSZRPIQZDGV-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.69
Rot. Bonds9

About N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9438050) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID9438050
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O5/c1-30-20-12-6-5-11-19(20)25-21(27)16-26(15-18-10-7-13-31-18)22(28)14-24-23(29)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyBLDMSZRPIQZDGV-UHFFFAOYSA-N
XLogP2.69
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 8501196
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 9438050) is N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BLDMSZRPIQZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-30-20-12-6-5-11-19(20)25-21(27)16-26(15-18-10-7-13-31-18)22(28)14-24-23(29)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 421.45 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9438050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).