N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide

C10H14N2O4 — CID 106166165

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)C(N)=O)o1
InChIInChI=1S/C10H14N2O4/c1-2-6-3-4-8(16-6)10(15)12-5-7(13)9(11)14/h3-4,7,13H,2,5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyORBPYKGYFOQKON-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.58
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide (PubChem CID 106166165) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
PubChem CID106166165
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)C(N)=O)o1
InChIInChI=1S/C10H14N2O4/c1-2-6-3-4-8(16-6)10(15)12-5-7(13)9(11)14/h3-4,7,13H,2,5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyORBPYKGYFOQKON-UHFFFAOYSA-N
XLogP-0.58
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
methyl 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]propanoate
CID 103958190
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide (CID 106166165) is N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCC(O)C(N)=O)o1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide?
The InChIKey is ORBPYKGYFOQKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-6-3-4-8(16-6)10(15)12-5-7(13)9(11)14/h3-4,7,13H,2,5H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 106166165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).