(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

C14H19NO5 — CID 155996619

IUPAC(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H19NO5/c1-15(7-10-8-19-9-12(16)14(10)18)13(17)5-4-11-3-2-6-20-11/h2-6,10,12,14,16,18H,7-9H2,1H3/b5-4+/t10-,12-,14+/m1/s1
InChIKeyUSTXPFMBDNGYRR-VYLAKEIESA-N
MW281.31 g/mol
LogP0.12
Rot. Bonds4

About (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 155996619) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID155996619
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccco1
InChIInChI=1S/C14H19NO5/c1-15(7-10-8-19-9-12(16)14(10)18)13(17)5-4-11-3-2-6-20-11/h2-6,10,12,14,16,18H,7-9H2,1H3/b5-4+/t10-,12-,14+/m1/s1
InChIKeyUSTXPFMBDNGYRR-VYLAKEIESA-N
XLogP0.12
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 171147067
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 171147056
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75395580
3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
CID 90606971
(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 26326658
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-3-(furan-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)prop-2-enamide
CID 60619076
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (CID 155996619) is (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide is CN(C[C@@H]1COC[C@@H](O)[C@H]1O)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is USTXPFMBDNGYRR-VYLAKEIESA-N. The full InChI is InChI=1S/C14H19NO5/c1-15(7-10-8-19-9-12(16)14(10)18)13(17)5-4-11-3-2-6-20-11/h2-6,10,12,14,16,18H,7-9H2,1H3/b5-4+/t10-,12-,14+/m1/s1.
What are the key properties of (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 155996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).