ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide

C14H26N2O2 — CID 174986037

IUPACethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)N(C)C(=O)C(=C)C.CC
InChIInChI=1S/C12H20N2O2.C2H6/c1-8(2)11(15)13-7-10(5)14(6)12(16)9(3)4;1-2/h10H,1,3,7H2,2,4-6H3,(H,13,15);1-2H3
InChIKeyJGMJFXZYPZRPCQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.13
Rot. Bonds5

About ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide

ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide (PubChem CID 174986037) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
PubChem CID174986037
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)N(C)C(=O)C(=C)C.CC
InChIInChI=1S/C12H20N2O2.C2H6/c1-8(2)11(15)13-7-10(5)14(6)12(16)9(3)4;1-2/h10H,1,3,7H2,2,4-6H3,(H,13,15);1-2H3
InChIKeyJGMJFXZYPZRPCQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.13
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

2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide
CID 21330966
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide?
The IUPAC name of ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide (CID 174986037) is ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide?
The canonical SMILES for ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide is C=C(C)C(=O)NCC(C)N(C)C(=O)C(=C)C.CC.
What is the InChIKey of ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide?
The InChIKey is JGMJFXZYPZRPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C2H6/c1-8(2)11(15)13-7-10(5)14(6)12(16)9(3)4;1-2/h10H,1,3,7H2,2,4-6H3,(H,13,15);1-2H3.
What are the key properties of ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide?
ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 174986037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).