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

C19H37N3O2 — CID 123139604

IUPAC5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide
SMILESCC(C)NCCCN(CCCNC(C)C)C(=O)C=CC(=O)C(C)C
InChIInChI=1S/C19H37N3O2/c1-15(2)18(23)9-10-19(24)22(13-7-11-20-16(3)4)14-8-12-21-17(5)6/h9-10,15-17,20-21H,7-8,11-14H2,1-6H3
InChIKeyZFPGOUCJFSDQBQ-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.37
Rot. Bonds13

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

5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide (PubChem CID 123139604) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide
PubChem CID123139604
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide
SMILESCC(C)NCCCN(CCCNC(C)C)C(=O)C=CC(=O)C(C)C
InChIInChI=1S/C19H37N3O2/c1-15(2)18(23)9-10-19(24)22(13-7-11-20-16(3)4)14-8-12-21-17(5)6/h9-10,15-17,20-21H,7-8,11-14H2,1-6H3
InChIKeyZFPGOUCJFSDQBQ-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide?
The IUPAC name of 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide (CID 123139604) is 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide.
What is the SMILES notation for 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide?
The canonical SMILES for 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide is CC(C)NCCCN(CCCNC(C)C)C(=O)C=CC(=O)C(C)C.
What is the InChIKey of 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide?
The InChIKey is ZFPGOUCJFSDQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(2)18(23)9-10-19(24)22(13-7-11-20-16(3)4)14-8-12-21-17(5)6/h9-10,15-17,20-21H,7-8,11-14H2,1-6H3.
What are the key properties of 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide?
5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide has a molecular weight of 339.52 g/mol, XLogP of 2.37, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N,N-bis[3-(propan-2-ylamino)propyl]hex-2-enamide is sourced from PubChem (CID 123139604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).