N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide

C22H22N4O4 — CID 134050575

IUPACN-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H22N4O4/c1-15-4-2-5-16(12-15)21(28)23-14-20(27)25-17-7-9-18(10-8-17)26-22(29)24-13-19-6-3-11-30-19/h2-12H,13-14H2,1H3,(H,23,28)(H,25,27)(H2,24,26,29)
InChIKeyRQKIFWROYZVXKP-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide

N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 134050575) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
PubChem CID134050575
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H22N4O4/c1-15-4-2-5-16(12-15)21(28)23-14-20(27)25-17-7-9-18(10-8-17)26-22(29)24-13-19-6-3-11-30-19/h2-12H,13-14H2,1H3,(H,23,28)(H,25,27)(H2,24,26,29)
InChIKeyRQKIFWROYZVXKP-UHFFFAOYSA-N
XLogP3.28
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide (CID 134050575) is N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is RQKIFWROYZVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-4-2-5-16(12-15)21(28)23-14-20(27)25-17-7-9-18(10-8-17)26-22(29)24-13-19-6-3-11-30-19/h2-12H,13-14H2,1H3,(H,23,28)(H,25,27)(H2,24,26,29).
What are the key properties of N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 134050575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).