N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide

C15H20N2O6 — CID 74451422

IUPACN-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CC1OC(CNC(=O)c2ccco2)C(O)C1O)NC1CC1
InChIInChI=1S/C15H20N2O6/c18-12(17-8-3-4-8)6-10-13(19)14(20)11(23-10)7-16-15(21)9-2-1-5-22-9/h1-2,5,8,10-11,13-14,19-20H,3-4,6-7H2,(H,16,21)(H,17,18)
InChIKeyQKMWZBDVGKFIIX-UHFFFAOYSA-N
MW324.33 g/mol
LogP-0.83
Rot. Bonds6

About N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide

N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 74451422) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID74451422
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC NameN-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CC1OC(CNC(=O)c2ccco2)C(O)C1O)NC1CC1
InChIInChI=1S/C15H20N2O6/c18-12(17-8-3-4-8)6-10-13(19)14(20)11(23-10)7-16-15(21)9-2-1-5-22-9/h1-2,5,8,10-11,13-14,19-20H,3-4,6-7H2,(H,16,21)(H,17,18)
InChIKeyQKMWZBDVGKFIIX-UHFFFAOYSA-N
XLogP-0.83
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide
CID 162923536
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]acetamide
CID 40777917
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[[4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperidin-1-yl)oxolan-2-yl]methyl]furan-2-carboxamide
CID 74578465
N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 124785873
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]acetamide
CID 25390436
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-cyclooctylfuran-2-carboxamide
CID 790432
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide (CID 74451422) is N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide is O=C(CC1OC(CNC(=O)c2ccco2)C(O)C1O)NC1CC1.
What is the InChIKey of N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is QKMWZBDVGKFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c18-12(17-8-3-4-8)6-10-13(19)14(20)11(23-10)7-16-15(21)9-2-1-5-22-9/h1-2,5,8,10-11,13-14,19-20H,3-4,6-7H2,(H,16,21)(H,17,18).
What are the key properties of N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 324.33 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 74451422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).