2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide

C12H20N2O2 — CID 11680199

IUPAC2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16)
InChIKeyLRBAGBSJVWOHDF-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.15
Rot. Bonds7

About 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide

2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide (PubChem CID 11680199) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide
PubChem CID11680199
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16)
InChIKeyLRBAGBSJVWOHDF-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
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
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide (CID 11680199) is 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide is C=C(C)C(=O)NCCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide?
The InChIKey is LRBAGBSJVWOHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide?
2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylprop-2-enoylamino)butyl]prop-2-enamide is sourced from PubChem (CID 11680199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).