N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)

C12H23NO4 — CID 19756748

IUPACN-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NCCOC.CC(C)=O.CC(C)=O
InChIInChI=1S/C6H11NO2.2C3H6O/c1-3-6(8)7-4-5-9-2;2*1-3(2)4/h3H,1,4-5H2,2H3,(H,7,8);2*1-2H3
InChIKeyBZMHRUMYWBGIHT-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.13
Rot. Bonds4

About N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)

N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one) (PubChem CID 19756748) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one).

Molecular Properties

Compound NameN-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
PubChem CID19756748
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NCCOC.CC(C)=O.CC(C)=O
InChIInChI=1S/C6H11NO2.2C3H6O/c1-3-6(8)7-4-5-9-2;2*1-3(2)4/h3H,1,4-5H2,2H3,(H,7,8);2*1-2H3
InChIKeyBZMHRUMYWBGIHT-UHFFFAOYSA-N
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
Acrylic acid beta-vinyloxyethylamide
CID 14946261
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(2-butoxyethyl)prop-2-enamide
CID 18970995
N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 19105381
N-[2-[2-(dimethylamino)ethoxy]ethyl]prop-2-enamide
CID 20310793

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)?
The IUPAC name of N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one) (CID 19756748) is N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one).
What is the SMILES notation for N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)?
The canonical SMILES for N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one) is C=CC(=O)NCCOC.CC(C)=O.CC(C)=O.
What is the InChIKey of N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)?
The InChIKey is BZMHRUMYWBGIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.2C3H6O/c1-3-6(8)7-4-5-9-2;2*1-3(2)4/h3H,1,4-5H2,2H3,(H,7,8);2*1-2H3.
What are the key properties of N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)?
N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one) has a molecular weight of 245.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one) is sourced from PubChem (CID 19756748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).