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

C17H20N4O4 — CID 8772778

IUPACN-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)CNCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C17H20N4O4/c1-18-15(22)10-19-11-16(23)21-14-7-3-2-6-13(14)17(24)20-9-12-5-4-8-25-12/h2-8,19H,9-11H2,1H3,(H,18,22)(H,20,24)(H,21,23)
InChIKeyGBFVQYMTGNJFOS-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.48
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 8772778) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID8772778
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)CNCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C17H20N4O4/c1-18-15(22)10-19-11-16(23)21-14-7-3-2-6-13(14)17(24)20-9-12-5-4-8-25-12/h2-8,19H,9-11H2,1H3,(H,18,22)(H,20,24)(H,21,23)
InChIKeyGBFVQYMTGNJFOS-UHFFFAOYSA-N
XLogP0.48
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
CID 34653312
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 8772778) is N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is CNC(=O)CNCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is GBFVQYMTGNJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-18-15(22)10-19-11-16(23)21-14-7-3-2-6-13(14)17(24)20-9-12-5-4-8-25-12/h2-8,19H,9-11H2,1H3,(H,18,22)(H,20,24)(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 344.37 g/mol, XLogP of 0.48, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8772778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).