(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide

C10H17FN2O3 — CID 139341096

IUPAC(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(F)=C\N(C=O)CC[C@@H](C)OC
InChIInChI=1S/C10H17FN2O3/c1-8(16-3)4-5-13(7-14)6-9(11)10(15)12-2/h6-8H,4-5H2,1-3H3,(H,12,15)/b9-6+/t8-/m1/s1
InChIKeyMXUZKQTXLWXRGK-GTUWVTDSSA-N
MW232.25 g/mol
LogP0.43
Rot. Bonds7

About (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide

(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide (PubChem CID 139341096) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide
PubChem CID139341096
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(F)=C\N(C=O)CC[C@@H](C)OC
InChIInChI=1S/C10H17FN2O3/c1-8(16-3)4-5-13(7-14)6-9(11)10(15)12-2/h6-8H,4-5H2,1-3H3,(H,12,15)/b9-6+/t8-/m1/s1
InChIKeyMXUZKQTXLWXRGK-GTUWVTDSSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-3-[formyl-[3-methoxy-4-[(1-oxopropan-2-ylamino)-phenoxyphosphoryl]oxybutyl]amino]-N,2-dimethylprop-2-enamide;2-methoxypropane
CID 144729029
2-methoxy-7-methylidenenonan-5-one
CID 105113355
ethane;3-methoxy-N,N-dimethylbutan-1-amine
CID 144600046
(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
CID 143719526
3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
CID 141238561
(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide
CID 142186690
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
1-hydroperoxy-3-methoxybutane
CID 18475070
4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 156711657
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
1-(3-methoxybutyl)-3-methylthiourea
CID 131224103
4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate
CID 155574474

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide?
The IUPAC name of (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide (CID 139341096) is (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide?
The canonical SMILES for (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide is CNC(=O)/C(F)=C\N(C=O)CC[C@@H](C)OC.
What is the InChIKey of (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide?
The InChIKey is MXUZKQTXLWXRGK-GTUWVTDSSA-N. The full InChI is InChI=1S/C10H17FN2O3/c1-8(16-3)4-5-13(7-14)6-9(11)10(15)12-2/h6-8H,4-5H2,1-3H3,(H,12,15)/b9-6+/t8-/m1/s1.
What are the key properties of (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide?
(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide has a molecular weight of 232.25 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide is sourced from PubChem (CID 139341096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).