N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide

C14H26N2O2 — CID 88595485

IUPACN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
SMILESC=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O
InChIInChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+
InChIKeySPHLTKCSJKFXEA-RCKHEGBHSA-N
MW254.37 g/mol
LogP2.31
Rot. Bonds6

About N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide

N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide (PubChem CID 88595485) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
PubChem CID88595485
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
SMILESC=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O
InChIInChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+
InChIKeySPHLTKCSJKFXEA-RCKHEGBHSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The IUPAC name of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide (CID 88595485) is N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide.
What is the SMILES notation for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The canonical SMILES for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide is C=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O.
What is the InChIKey of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The InChIKey is SPHLTKCSJKFXEA-RCKHEGBHSA-N. The full InChI is InChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+.
What are the key properties of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide is sourced from PubChem (CID 88595485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).