2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide

C13H19N3O3 — CID 43401424

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC(=O)NC1CC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O3/c1-9(14-8-12(17)16-10-4-5-10)13(18)15-7-11-3-2-6-19-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQRJOQWFZWIIQKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.15
Rot. Bonds7

About 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 43401424) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID43401424
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCC(=O)NC1CC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H19N3O3/c1-9(14-8-12(17)16-10-4-5-10)13(18)15-7-11-3-2-6-19-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQRJOQWFZWIIQKQ-UHFFFAOYSA-N
XLogP0.15
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
CID 80712559
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide (CID 43401424) is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide is CC(NCC(=O)NC1CC1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QRJOQWFZWIIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(14-8-12(17)16-10-4-5-10)13(18)15-7-11-3-2-6-19-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 43401424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).