N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide

C12H22N2O3 — CID 87880276

IUPACN-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)NCOCC
InChIInChI=1S/C6H11NO2.C6H11NO/c1-3-6(8)7-5-9-4-2;1-4-6(8)7-5(2)3/h3H,1,4-5H2,2H3,(H,7,8);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyLOLJODXPRDMUIT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds6

About N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide

N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide (PubChem CID 87880276) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
PubChem CID87880276
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(=O)NCOCC
InChIInChI=1S/C6H11NO2.C6H11NO/c1-3-6(8)7-5-9-4-2;1-4-6(8)7-5(2)3/h3H,1,4-5H2,2H3,(H,7,8);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyLOLJODXPRDMUIT-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium N-propan-2-ylprop-2-enamide
CID 19004870
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-[[(E)-but-1-enoxy]methyl]prop-2-enamide
CID 23172057
N-propan-2-ylprop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 175371989
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide
CID 166931985
N-(2,3,4-trihydroxybutoxymethyl)prop-2-enamide
CID 88892230
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
CID 87513594
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide?
The IUPAC name of N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide (CID 87880276) is N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.C=CC(=O)NCOCC.
What is the InChIKey of N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide?
The InChIKey is LOLJODXPRDMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H11NO/c1-3-6(8)7-5-9-4-2;1-4-6(8)7-5(2)3/h3H,1,4-5H2,2H3,(H,7,8);4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide?
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide has a molecular weight of 242.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87880276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).