N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide

C12H22N2O4 — CID 175383713

IUPACN,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCO)CCO.C=C(C)C(N)=O
InChIInChI=1S/C8H15NO3.C4H7NO/c1-7(2)8(12)9(3-5-10)4-6-11;1-3(2)4(5)6/h10-11H,1,3-6H2,2H3;1H2,2H3,(H2,5,6)
InChIKeyKOUQKUAYZCALIB-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.58
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide

N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide (PubChem CID 175383713) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
PubChem CID175383713
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCO)CCO.C=C(C)C(N)=O
InChIInChI=1S/C8H15NO3.C4H7NO/c1-7(2)8(12)9(3-5-10)4-6-11;1-3(2)4(5)6/h10-11H,1,3-6H2,2H3;1H2,2H3,(H2,5,6)
InChIKeyKOUQKUAYZCALIB-UHFFFAOYSA-N
XLogP-0.58
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
2-methylprop-2-enamide;hydrate
CID 88749193
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582937
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771309
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
ethane;N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582936
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128662
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide (CID 175383713) is N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide is C=C(C)C(=O)N(CCO)CCO.C=C(C)C(N)=O.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide?
The InChIKey is KOUQKUAYZCALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C4H7NO/c1-7(2)8(12)9(3-5-10)4-6-11;1-3(2)4(5)6/h10-11H,1,3-6H2,2H3;1H2,2H3,(H2,5,6).
What are the key properties of N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide?
N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 175383713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).