N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide

C17H30N2O2 — CID 157058333

IUPACN-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)CCCN(CCNC(=O)C(=C)C)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)15(20)9-8-11-19(17(5,6)7)12-10-18-16(21)14(3)4/h1,3,8-12H2,2,4-7H3,(H,18,21)
InChIKeyWQABUECTXIBWOV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.70
Rot. Bonds9

About N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 157058333) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID157058333
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)CCCN(CCNC(=O)C(=C)C)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)15(20)9-8-11-19(17(5,6)7)12-10-18-16(21)14(3)4/h1,3,8-12H2,2,4-7H3,(H,18,21)
InChIKeyWQABUECTXIBWOV-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide (CID 157058333) is N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)CCCN(CCNC(=O)C(=C)C)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is WQABUECTXIBWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)15(20)9-8-11-19(17(5,6)7)12-10-18-16(21)14(3)4/h1,3,8-12H2,2,4-7H3,(H,18,21).
What are the key properties of N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 294.44 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 157058333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).