(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide

C12H20N2O5 — CID 142117800

IUPAC(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C\N(C=O)C1CCC(CO)O1)COC
InChIInChI=1S/C12H20N2O5/c1-13-12(17)9(7-18-2)5-14(8-16)11-4-3-10(6-15)19-11/h5,8,10-11,15H,3-4,6-7H2,1-2H3,(H,13,17)/b9-5-
InChIKeyNVMDNGSRNRRMKO-UITAMQMPSA-N
MW272.30 g/mol
LogP-0.78
Rot. Bonds7

About (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide

(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide (PubChem CID 142117800) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
PubChem CID142117800
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C\N(C=O)C1CCC(CO)O1)COC
InChIInChI=1S/C12H20N2O5/c1-13-12(17)9(7-18-2)5-14(8-16)11-4-3-10(6-15)19-11/h5,8,10-11,15H,3-4,6-7H2,1-2H3,(H,13,17)/b9-5-
InChIKeyNVMDNGSRNRRMKO-UITAMQMPSA-N
XLogP-0.78
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-[formyl-[(Z)-2-(hydroxymethyl)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-aminoacetate;methanol;propane
CID 156804024
methyl (Z)-4-[formyl-[5-(3-methylbutan-2-yl)oxolan-2-yl]amino]-3-(methylcarbamoyl)but-3-enoate
CID 146429654
[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
CID 177044439
(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
1-[(E)-2-chloro-3-oxoprop-1-enyl]-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methylurea;difluoromethane
CID 144900365
(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide
CID 153342466
[(2R)-5-(dimethylamino)oxolan-2-yl]methanol
CID 59319470
(Z)-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enal
CID 171628813
[3-[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]propyl-(methoxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 178052210
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
CID 143037549
CID 156803900
CID 156803900
(Z)-3-[formyl-[5-(methoxymethyl)oxolan-2-yl]amino]-N-methyl-N-prop-2-ynylprop-2-enamide
CID 177166470

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide (CID 142117800) is (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide is CNC(=O)/C(=C\N(C=O)C1CCC(CO)O1)COC.
What is the InChIKey of (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide?
The InChIKey is NVMDNGSRNRRMKO-UITAMQMPSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-13-12(17)9(7-18-2)5-14(8-16)11-4-3-10(6-15)19-11/h5,8,10-11,15H,3-4,6-7H2,1-2H3,(H,13,17)/b9-5-.
What are the key properties of (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide?
(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 142117800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).