(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide

C17H33N3O2 — CID 89435744

IUPAC(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide
SMILESCNCCCN(CCCNC(C)C)C(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H33N3O2/c1-14(2)16(21)8-9-17(22)20(12-6-10-18-5)13-7-11-19-15(3)4/h8-9,14-15,18-19H,6-7,10-13H2,1-5H3/b9-8-
InChIKeyVPYIMPVTRLRYFK-HJWRWDBZSA-N
MW311.47 g/mol
LogP1.59
Rot. Bonds12

About (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide

(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide (PubChem CID 89435744) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide
PubChem CID89435744
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide
SMILESCNCCCN(CCCNC(C)C)C(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H33N3O2/c1-14(2)16(21)8-9-17(22)20(12-6-10-18-5)13-7-11-19-15(3)4/h8-9,14-15,18-19H,6-7,10-13H2,1-5H3/b9-8-
InChIKeyVPYIMPVTRLRYFK-HJWRWDBZSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide?
The IUPAC name of (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide (CID 89435744) is (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide?
The canonical SMILES for (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide is CNCCCN(CCCNC(C)C)C(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide?
The InChIKey is VPYIMPVTRLRYFK-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(2)16(21)8-9-17(22)20(12-6-10-18-5)13-7-11-19-15(3)4/h8-9,14-15,18-19H,6-7,10-13H2,1-5H3/b9-8-.
What are the key properties of (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide?
(Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide has a molecular weight of 311.47 g/mol, XLogP of 1.59, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-[3-(methylamino)propyl]-4-oxo-N-[3-(propan-2-ylamino)propyl]hex-2-enamide is sourced from PubChem (CID 89435744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).