5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide

C22H30N2O — CID 21117341

IUPAC5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide
SMILESCCCNCCC(CC=C(C)C)(C(N)=O)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O/c1-4-15-24-16-14-22(21(23)25,13-12-17(2)3)20-11-7-9-18-8-5-6-10-19(18)20/h5-12,24H,4,13-16H2,1-3H3,(H2,23,25)
InChIKeyNBJMUYUHULCMMC-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.31
Rot. Bonds9

About 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide

5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide (PubChem CID 21117341) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide.

Molecular Properties

Compound Name5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide
PubChem CID21117341
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide
SMILESCCCNCCC(CC=C(C)C)(C(N)=O)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O/c1-4-15-24-16-14-22(21(23)25,13-12-17(2)3)20-11-7-9-18-8-5-6-10-19(18)20/h5-12,24H,4,13-16H2,1-3H3,(H2,23,25)
InChIKeyNBJMUYUHULCMMC-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide?
The IUPAC name of 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide (CID 21117341) is 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide.
What is the SMILES notation for 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide?
The canonical SMILES for 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide is CCCNCCC(CC=C(C)C)(C(N)=O)c1cccc2ccccc12.
What is the InChIKey of 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide?
The InChIKey is NBJMUYUHULCMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-4-15-24-16-14-22(21(23)25,13-12-17(2)3)20-11-7-9-18-8-5-6-10-19(18)20/h5-12,24H,4,13-16H2,1-3H3,(H2,23,25).
What are the key properties of 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide?
5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide has a molecular weight of 338.50 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide is sourced from PubChem (CID 21117341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).