2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide

C16H17N3O5 — CID 9081252

IUPAC2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O5/c17-16(22)12-5-1-2-6-13(12)24-10-15(21)19-9-14(20)18-8-11-4-3-7-23-11/h1-7H,8-10H2,(H2,17,22)(H,18,20)(H,19,21)
InChIKeyRHXODWRASFUODT-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.19
Rot. Bonds8

About 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide

2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 9081252) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
PubChem CID9081252
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O5/c17-16(22)12-5-1-2-6-13(12)24-10-15(21)19-9-14(20)18-8-11-4-3-7-23-11/h1-7H,8-10H2,(H2,17,22)(H,18,20)(H,19,21)
InChIKeyRHXODWRASFUODT-UHFFFAOYSA-N
XLogP0.19
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 18118989
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82810339
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
CID 100818248
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329386

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide (CID 9081252) is 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is RHXODWRASFUODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c17-16(22)12-5-1-2-6-13(12)24-10-15(21)19-9-14(20)18-8-11-4-3-7-23-11/h1-7H,8-10H2,(H2,17,22)(H,18,20)(H,19,21).
What are the key properties of 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 331.33 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 9081252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).