N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide

C17H19N3O4 — CID 9079684

IUPACN-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H19N3O4/c1-12-4-2-5-13(8-12)17(23)20-11-16(22)19-10-15(21)18-9-14-6-3-7-24-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKGWIYCTJCKPGA-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.75
Rot. Bonds7

About N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 9079684) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID9079684
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C17H19N3O4/c1-12-4-2-5-13(8-12)17(23)20-11-16(22)19-10-15(21)18-9-14-6-3-7-24-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIKGWIYCTJCKPGA-UHFFFAOYSA-N
XLogP0.75
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
CID 134050575
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9481826
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide (CID 9079684) is N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is IKGWIYCTJCKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-4-2-5-13(8-12)17(23)20-11-16(22)19-10-15(21)18-9-14-6-3-7-24-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 329.36 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9079684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).