N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide

C11H20N2O2 — CID 22071889

IUPACN-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=CC(=O)NCC
InChIInChI=1S/C6H11NO.C5H9NO/c1-4-7-6(8)5(2)3;1-3-5(7)6-4-2/h2,4H2,1,3H3,(H,7,8);3H,1,4H2,2H3,(H,6,7)
InChIKeyQECVCTLNPYAVCC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.01
Rot. Bonds4

About N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide

N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide (PubChem CID 22071889) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide
PubChem CID22071889
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=CC(=O)NCC
InChIInChI=1S/C6H11NO.C5H9NO/c1-4-7-6(8)5(2)3;1-3-5(7)6-4-2/h2,4H2,1,3H3,(H,7,8);3H,1,4H2,2H3,(H,6,7)
InChIKeyQECVCTLNPYAVCC-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N-Dimethylaminopropyl acrylamide
CID 77452
N,N-`Bisacrylamido-1,3-propan
CID 11636931
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
Poly(N-isopropylacrylamide-N-tert-butylacrylamide)copolymer
CID 3080965
N-Ethylmethacrylamide
CID 10313114

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide?
The IUPAC name of N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide (CID 22071889) is N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide is C=C(C)C(=O)NCC.C=CC(=O)NCC.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide?
The InChIKey is QECVCTLNPYAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H9NO/c1-4-7-6(8)5(2)3;1-3-5(7)6-4-2/h2,4H2,1,3H3,(H,7,8);3H,1,4H2,2H3,(H,6,7).
What are the key properties of N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide?
N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide;N-ethylprop-2-enamide is sourced from PubChem (CID 22071889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).