N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide

C16H19N3O3 — CID 54835371

IUPACN-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-15(20)19-13-7-5-12(6-8-13)17-11-16(21)18-10-14-4-3-9-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyWNSSCTOCOPGFJT-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide

N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835371) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835371
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-15(20)19-13-7-5-12(6-8-13)17-11-16(21)18-10-14-4-3-9-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyWNSSCTOCOPGFJT-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-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821313
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835371) is N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is WNSSCTOCOPGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-15(20)19-13-7-5-12(6-8-13)17-11-16(21)18-10-14-4-3-9-22-14/h3-9,17H,2,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[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-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).