2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

C10H16N2O2 — CID 23525812

IUPAC2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-5-9(13)12(4)7-6-11-10(14)8(2)3/h5H,1-2,6-7H2,3-4H3,(H,11,14)
InChIKeyHIIIOVZOPLEUSK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds5

About 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (PubChem CID 23525812) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
PubChem CID23525812
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-5-9(13)12(4)7-6-11-10(14)8(2)3/h5H,1-2,6-7H2,3-4H3,(H,11,14)
InChIKeyHIIIOVZOPLEUSK-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
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-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
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-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666
N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
CID 19076196
Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)amino]-, chloride
CID 9855713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (CID 23525812) is 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The InChIKey is HIIIOVZOPLEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-9(13)12(4)7-6-11-10(14)8(2)3/h5H,1-2,6-7H2,3-4H3,(H,11,14).
What are the key properties of 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 23525812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).