N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C14H20N2O4 — CID 94196075

IUPACN-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CCCOC1
InChIInChI=1S/C14H20N2O4/c1-10(16-14(18)12-4-6-20-9-12)13(17)15-7-11-3-2-5-19-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,15,17)(H,16,18)/t10-,11+/m1/s1
InChIKeyZIBOEYDMLHPMSS-MNOVXSKESA-N
MW280.32 g/mol
LogP0.94
Rot. Bonds5

About N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94196075) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94196075
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CCCOC1
InChIInChI=1S/C14H20N2O4/c1-10(16-14(18)12-4-6-20-9-12)13(17)15-7-11-3-2-5-19-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,15,17)(H,16,18)/t10-,11+/m1/s1
InChIKeyZIBOEYDMLHPMSS-MNOVXSKESA-N
XLogP0.94
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 47342208
N-[(2R)-1-[[(3R)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196077
N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49065469
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000559
N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94177612
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94196075) is N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CCCOC1.
What is the InChIKey of N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is ZIBOEYDMLHPMSS-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(16-14(18)12-4-6-20-9-12)13(17)15-7-11-3-2-5-19-8-11/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,15,17)(H,16,18)/t10-,11+/m1/s1.
What are the key properties of N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94196075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).