(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide

C14H22N2O5 — CID 101211289

IUPAC(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide
SMILESCO/C=C(\C)C(=O)NC(=O)N[C@H]1C[C@@H]1OC1CCCCO1
InChIInChI=1S/C14H22N2O5/c1-9(8-19-2)13(17)16-14(18)15-10-7-11(10)21-12-5-3-4-6-20-12/h8,10-12H,3-7H2,1-2H3,(H2,15,16,17,18)/b9-8+/t10-,11-,12?/m0/s1
InChIKeyYSZAXNCRGBAHNC-VAQBMPQGSA-N
MW298.34 g/mol
LogP1.05
Rot. Bonds5

About (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide

(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide (PubChem CID 101211289) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide
PubChem CID101211289
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide
SMILESCO/C=C(\C)C(=O)NC(=O)N[C@H]1C[C@@H]1OC1CCCCO1
InChIInChI=1S/C14H22N2O5/c1-9(8-19-2)13(17)16-14(18)15-10-7-11(10)21-12-5-3-4-6-20-12/h8,10-12H,3-7H2,1-2H3,(H2,15,16,17,18)/b9-8+/t10-,11-,12?/m0/s1
InChIKeyYSZAXNCRGBAHNC-VAQBMPQGSA-N
XLogP1.05
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide with MolForge

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Related Compounds

methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
(E)-N-[[(3aR,4S,6R,6aR)-4-hydroxy-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]carbamoyl]-3-methoxy-2-methylprop-2-enamide
CID 23251597
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
2-methyl-3-[2-(oxan-2-yloxy)-4-oxocyclopentyl]but-2-enal
CID 139608730
2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
methyl 7-[(1S,2S,3S,5R)-5-acetyloxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 22806362
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
CID 163849586
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide?
The IUPAC name of (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide (CID 101211289) is (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide.
What is the SMILES notation for (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide?
The canonical SMILES for (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide is CO/C=C(\C)C(=O)NC(=O)N[C@H]1C[C@@H]1OC1CCCCO1.
What is the InChIKey of (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide?
The InChIKey is YSZAXNCRGBAHNC-VAQBMPQGSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-9(8-19-2)13(17)16-14(18)15-10-7-11(10)21-12-5-3-4-6-20-12/h8,10-12H,3-7H2,1-2H3,(H2,15,16,17,18)/b9-8+/t10-,11-,12?/m0/s1.
What are the key properties of (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide?
(E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-methyl-N-[[(1S,2S)-2-(oxan-2-yloxy)cyclopropyl]carbamoyl]prop-2-enamide is sourced from PubChem (CID 101211289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).