N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

C24H44N4O3 — CID 21032179

IUPACN-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESC/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)C)C(=O)NC(C)C
InChIInChI=1S/C24H44N4O3/c1-15(2)20(14-18(7)22(29)25-17(5)6)28(9)24(31)21(16(3)4)26-23(30)19-12-10-11-13-27(19)8/h14-17,19-21H,10-13H2,1-9H3,(H,25,29)(H,26,30)/b18-14+
InChIKeyJHDCDBPVIZREFV-NBVRZTHBSA-N
MW436.64 g/mol
LogP2.57
Rot. Bonds9

About N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 21032179) has the molecular formula C24H44N4O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID21032179
Molecular FormulaC24H44N4O3
Molecular Weight436.64 g/mol
Exact Mass436.34
IUPAC NameN-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESC/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)C)C(=O)NC(C)C
InChIInChI=1S/C24H44N4O3/c1-15(2)20(14-18(7)22(29)25-17(5)6)28(9)24(31)21(16(3)4)26-23(30)19-12-10-11-13-27(19)8/h14-17,19-21H,10-13H2,1-9H3,(H,25,29)(H,26,30)/b18-14+
InChIKeyJHDCDBPVIZREFV-NBVRZTHBSA-N
XLogP2.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (CID 21032179) is N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is C/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)C)C(=O)NC(C)C.
What is the InChIKey of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is JHDCDBPVIZREFV-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H44N4O3/c1-15(2)20(14-18(7)22(29)25-17(5)6)28(9)24(31)21(16(3)4)26-23(30)19-12-10-11-13-27(19)8/h14-17,19-21H,10-13H2,1-9H3,(H,25,29)(H,26,30)/b18-14+.
What are the key properties of N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 21032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).