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

C16H19N3O3 — CID 54833230

IUPACN-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O3/c1-2-15(20)19-13-6-3-5-12(9-13)17-11-16(21)18-10-14-7-4-8-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyYVXBAPPBDYNGMZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.36
Rot. Bonds7

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

N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54833230) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54833230
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O3/c1-2-15(20)19-13-6-3-5-12(9-13)17-11-16(21)18-10-14-7-4-8-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyYVXBAPPBDYNGMZ-UHFFFAOYSA-N
XLogP2.36
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 54833230) is N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is YVXBAPPBDYNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-15(20)19-13-6-3-5-12(9-13)17-11-16(21)18-10-14-7-4-8-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54833230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).