N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide

C14H22N2O4 — CID 133267426

IUPACN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
SMILESCN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-16(2)6-9-20-12-5-8-18-10-11(12)15-14(17)13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyODAKRTWWADTSAD-NWDGAFQWSA-N
MW282.34 g/mol
LogP0.75
Rot. Bonds6

About N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide (PubChem CID 133267426) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
PubChem CID133267426
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
SMILESCN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-16(2)6-9-20-12-5-8-18-10-11(12)15-14(17)13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyODAKRTWWADTSAD-NWDGAFQWSA-N
XLogP0.75
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]benzamide
CID 91786755
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide (CID 133267426) is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide is CN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1ccco1.
What is the InChIKey of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide?
The InChIKey is ODAKRTWWADTSAD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(2)6-9-20-12-5-8-18-10-11(12)15-14(17)13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide?
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 133267426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).