(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide

C14H20N2O4 — CID 177166470

IUPAC(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide
SMILESC#CCN(C)C(=O)/C=C\N(C=O)C1CCC(COC)O1
InChIInChI=1S/C14H20N2O4/c1-4-8-15(2)13(18)7-9-16(11-17)14-6-5-12(20-14)10-19-3/h1,7,9,11-12,14H,5-6,8,10H2,2-3H3/b9-7-
InChIKeyGFAYLAVBUMPJSQ-CLFYSBASSA-N
MW280.32 g/mol
LogP0.20
Rot. Bonds7

About (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide

(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide (PubChem CID 177166470) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide
PubChem CID177166470
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide
SMILESC#CCN(C)C(=O)/C=C\N(C=O)C1CCC(COC)O1
InChIInChI=1S/C14H20N2O4/c1-4-8-15(2)13(18)7-9-16(11-17)14-6-5-12(20-14)10-19-3/h1,7,9,11-12,14H,5-6,8,10H2,2-3H3/b9-7-
InChIKeyGFAYLAVBUMPJSQ-CLFYSBASSA-N
XLogP0.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 171528800
2,5-bis(methoxymethyl)oxolane
CID 57041378
[3-[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]propyl-(methoxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 178052210
(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
CID 142117800
(Z)-3-[[5-[(6,8-ditert-butyl-5-fluoro-4H-1,3,2-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-formylamino]-N-methylprop-2-enamide
CID 171528705
2,2-dimethylpropanal;[3-[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]propyl-(methoxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;2-methoxyethanol
CID 178052209
[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
CID 177044439
[5-[formyl-[(Z)-2-(hydroxymethyl)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-aminoacetate;methanol;propane
CID 156804024
[5-[[(Z)-3-amino-3-formyliminoprop-1-enyl]-methylamino]oxolan-2-yl]methyl 2-methylpropanoate;bis(2-methylpropanoic acid)
CID 144766711
2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate
CID 118361008
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
CID 158591848
[5-[[(Z)-3-formamido-3-oxoprop-1-enyl]-methylamino]oxolan-2-yl]methyl 2-fluorobenzoate;methyl hydrogen carbonate
CID 172580563

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide?
The IUPAC name of (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide (CID 177166470) is (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide.
What is the SMILES notation for (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide?
The canonical SMILES for (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide is C#CCN(C)C(=O)/C=C\N(C=O)C1CCC(COC)O1.
What is the InChIKey of (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide?
The InChIKey is GFAYLAVBUMPJSQ-CLFYSBASSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-8-15(2)13(18)7-9-16(11-17)14-6-5-12(20-14)10-19-3/h1,7,9,11-12,14H,5-6,8,10H2,2-3H3/b9-7-.
What are the key properties of (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide?
(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide has a molecular weight of 280.32 g/mol, XLogP of 0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide is sourced from PubChem (CID 177166470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).