N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C16H24N2O4 — CID 110014343

IUPACN-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)c(C)o1
InChIInChI=1S/C16H24N2O4/c1-8-7-13(11(4)22-8)9(2)17-16(21)14(10(3)19)18-15(20)12-5-6-12/h7,9-10,12,14,19H,5-6H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyJTQLGEPTVVGEGW-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.35
Rot. Bonds6

About N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014343) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014343
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)c(C)o1
InChIInChI=1S/C16H24N2O4/c1-8-7-13(11(4)22-8)9(2)17-16(21)14(10(3)19)18-15(20)12-5-6-12/h7,9-10,12,14,19H,5-6H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyJTQLGEPTVVGEGW-UHFFFAOYSA-N
XLogP1.35
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014076
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66030647
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95142311
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 106591306

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014343) is N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1cc(C(C)NC(=O)C(NC(=O)C2CC2)C(C)O)c(C)o1.
What is the InChIKey of N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is JTQLGEPTVVGEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-8-7-13(11(4)22-8)9(2)17-16(21)14(10(3)19)18-15(20)12-5-6-12/h7,9-10,12,14,19H,5-6H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).